SCHEMBL2897385

SCHEMBL2897385

O=C(O)CCNSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
GAA P10253 4/20 0.55
KDM4E B2RXH2 2/20 0.55
NPSR1 Q6W5P4 1/20 0.50
HPGD P15428 2/20 0.49
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALPG P10696 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PDE7A Q13946 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31545915 1.00 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2905084 0.85 MAPT (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2905085 0.85 MAPT (0.57) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL24326253 0.83 MAPT (0.52) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11051174 0.78 MAPT (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8941933 0.77 ALDH1A1 (0.67) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20390494 0.76 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL20161498 0.76 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11460815 0.74 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11499699 0.74 MAPT (0.58) MAPTALDH1A1MEN1KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217942-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2024-07-04 US disclosed
US-20240083866-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2024-03-14 US disclosed
US-20220194916-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2022-06-23 US disclosed
US-20210047284-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2021-02-18 US disclosed
US-20200247774-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2020-08-06 US disclosed
US-20200024248-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2020-01-23 US disclosed
US-20190233387-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2019-08-01 US disclosed
EP-2963031-B1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2019-02-06 EP disclosed
US-20190031637-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS (US) 2019-01-31 US disclosed
US-20180208572-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2018-07-26 US disclosed
US-20170088533-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ALLTRANZ INC. 2017-03-30 US disclosed
EP-2963031-A2 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME Zynerba Pharmaceuticals, Inc. (US) 2016-01-06 EP disclosed
US-20150218121-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS, INC. (US) 2015-08-06 US disclosed
EP-2215071-B1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ZYNERBA PHARMACEUTICALS INC (US) 2015-07-01 EP disclosed
US-8980942-B2 Prodrugs of tetrahydrocannabinol, compositions comprising prodrugs of tetrahydrocannabinol and methods of using the same ZYNERBA PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20120289484-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ALLTRANZ INC. 2012-11-15 US disclosed
US-8227627-B2 Prodrugs of tetrahydrocannabinol, compositions comprising prodrugs of tetrahydrocannabinol and methods of using the same ALLTRANZ INC. (US) 2012-07-24 US disclosed
EP-2215071-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME AllTranz Inc. (US) 2010-08-11 EP disclosed
WO-2009073633-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME ALLTRANZ INC. (US) 2009-06-11 WO disclosed
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same ALLTRANZ (US) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180208572-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20120289484-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20200247774-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20190233387-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20200024248-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20150218121-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20240083866-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 816/4885ALDH1A1 2229/4885MEN1 2411/4885
US-20090143462-A1 Products of Tetrahydrocannabinol, Compositions Comprising Prodrugs of Tetrahydrocannabinol and Methods of Using the Same CNR2, CNR1, FAAH MAPT 706/4885ALDH1A1 2452/4885MEN1 2322/4885
US-20220194916-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20190031637-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20170088533-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20210047284-A1 PRODRUGS OF TETRAHYDROCANNABINOL, COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 917/4885ALDH1A1 2405/4885MEN1 2400/4885
US-20240217942-A1 PRODRUGS OF TETRAHYDROCANNABINOL COMPOSITIONS COMPRISING PRODRUGS OF TETRAHYDROCANNABINOL AND METHODS OF USING THE SAME CNR2, CNR1, FAAH MAPT 816/4885ALDH1A1 2229/4885MEN1 2411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.