SCHEMBL3288477

SCHEMBL3288477

COC(=O)CNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 4/20 0.56
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
DDX3X O00571 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
HPGD P15428 2/20 0.54
HSP90AA1 P07900 1/20 0.54
CACNA1B Q00975 1/20 0.54
APBA1 Q02410 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NLRP1 Q9C000 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
BLM P54132 1/20 0.51
ALOX12 P18054 1/20 0.51

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
Hydrochloric Acid SCHEMBL8172216 0.99 MEN1 (0.64) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL641425 0.87 MEN1 (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL7529513 0.84 MEN1 (0.52) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL28467635 0.83 MEN1 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL3869188 0.83 MEN1 (0.67) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL1797099 0.83 MAPT (0.61) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL6192945 0.83 MAPT (0.61) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL7560437 0.82 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL17560621 0.82 MAPT (0.59) MEN1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL1258976 0.81 MAPT (0.59) MEN1KMT2ASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
WO-2016035008-A1 PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS LUPIN LIMITED (IN) 2016-03-10 WO disclosed
US-8404731-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2013-03-26 US disclosed
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors TRANSTECH PHARMA, INC. (US) 2012-08-02 US disclosed
US-7723369-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-25 US disclosed
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-06 US disclosed
EP-1991544-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-19 EP disclosed
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors VTV THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089857-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-09 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 (3 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-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors PTP4A1, PTPRJ, PTP4A2 MEN1 4542/4885KMT2A 2419/4885SMN1; SMN2 4462/4885
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors PTP4A1, PTPRJ, PTP4A2 MEN1 4542/4885KMT2A 2419/4885SMN1; SMN2 4462/4885
US-20120196906-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PTPase Inhibitors PTP4A1, PTPRJ, PTP4A2 MEN1 4542/4885KMT2A 2419/4885SMN1; SMN2 4462/4885

“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.