SCHEMBL16825902

SCHEMBL16825902

CSC(=NC#N)N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.58
HTT P42858 1/20 0.58
USP2 O75604 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPK1 P28482 1/20 0.51
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50

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
SCHEMBL16825901 1.00 MEN1 (0.62) MEN1KMT2AMAPTHTTUSP2
SCHEMBL16826097 0.88 ALDH1A1 (0.64) MEN1KMT2AMAPTHTTGAA
SCHEMBL16826096 0.88 ALDH1A1 (0.64) MEN1KMT2AMAPTHTTGAA
SCHEMBL16826357 0.88 ALDH1A1 (0.60) MEN1KMT2AMAPTHTTGAA
SCHEMBL16826162 0.88 ALDH1A1 (0.60) MEN1KMT2AMAPTHTTGAA
SCHEMBL16825670 0.88 NPC1 (0.60) MEN1KMT2AMAPTHTTUSP2
SCHEMBL16825667 0.88 NPC1 (0.60) MEN1KMT2AMAPTHTTUSP2
SCHEMBL10721826 0.79 MEN1 (1.00) MEN1KMT2AMAPTUSP2GAA
SCHEMBL6896101 0.77 MEN1 (0.77) MEN1KMT2AMAPTUSP2GAA
SCHEMBL16825949 0.77 HRH3 (0.51) MEN1KMT2AMAPTHTTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 WO 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 (1 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC MEN1 2231/4885KMT2A 1919/4885MAPT 2060/4885

“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.