SCHEMBL4056857

SCHEMBL4056857

COc1c(C)ncc(C(N)=O)c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.46
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
IKBKB O14920 1/20 0.35
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL4224161 0.80 NNMT (0.39) NNMTMAPTKMT2APOLBSIRT6
SCHEMBL3443069 0.79 KDM4E (0.56) NNMTKMT2AKDM4EALDH1A1HPGD
SCHEMBL30649291 0.75 KDM4E (0.59) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL3442528 0.75 RAB9A (0.42) TDP1
SCHEMBL4056862 0.74 KDM4E (0.50) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL12444474 0.72 MAPT (0.48) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL9294239 0.71 KDM4E (0.49) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL11449654 0.71 KDM4E (0.46) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL22283908 0.71 KMO (0.37) MAPTKMT2APOLBKDM4EALDH1A1
SCHEMBL14469765 0.71 LMNA (0.63) MAPTKMT2APOLBKDM4EALDH1A1

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 5 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
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 NNMT 1841/4885MAPT 4463/4885KMT2A 4721/4885
US-20060094749-A1 Substituted pyridoxines as anti-platelet agents PNPO, GP6, PFKP NNMT 1841/4885MAPT 4463/4885KMT2A 4721/4885

“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.