SCHEMBL4050124

SCHEMBL4050124

O=C(O)c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ERN1 O75460 1/20 0.47
SRD5A2 P31213 1/20 0.46
MAP4K4 O95819 4/20 0.43
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CASP6 P55212 1/20 0.42
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8827763 0.86 P4HTM (0.53) TDP1SRD5A2CASP6ALDH1A1LMNA
SCHEMBL19745758 0.82 MAPT (0.44) TDP1POLBMAPK1MEN1KMT2A
SCHEMBL5610043 0.76 MAPT (0.42) ERN1POLBKDM4EALDH1A1LMNA
SCHEMBL28708413 0.76 TDP1 (0.61) TDP1ERN1SRD5A2BCL2L1BAD
SCHEMBL6257899 0.75 KDM4E (0.63) MKNK1MKNK2ERN1POLBMEN1
SCHEMBL30213522 0.74 P4HA1 (0.69) MKNK1MKNK2MAP4K4BCL2L1BAD
SCHEMBL31084434 0.74 P4HA1 (0.69) MKNK1MKNK2MAP4K4BCL2L1BAD
SCHEMBL628405 0.74 TDP1 (0.88) TDP1SRD5A2POLBMAPK1CA12
SCHEMBL20704770 0.74 P4HA1 (0.69) MKNK1MKNK2MAP4K4BCL2L1BAD
SCHEMBL5740183 0.74 ALDH1A1 (0.53) TDP1POLBCA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824825-A4 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INT INC (BB) 2009-07-08 EP disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
US-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents MEDICURE INTERNATIONAL INC. (BB) 2008-12-11 US disclosed
EP-1824825-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045203-A1 SUBSTITUTED PYRIDOXINES AS ANTI-PLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents MEDICURE INTERNATIONAL INC. 2006-05-04 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 (2 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-20080306108-A1 Substituted Pyridoxines As Anti-Platelet Agents PNPO, GP6, PFKP TDP1 969/4885MKNK1 3428/4885MKNK2 2851/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP TDP1 969/4885MKNK1 3428/4885MKNK2 2851/4885

“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.