SCHEMBL3442500

SCHEMBL3442500

Cc1ncc(COc2ccc(C#N)cc2)c(C)c1OCc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
RAB9A P51151 1/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PTGER4 P35408 1/20 0.44
CYP3A4 P08684 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CYP19A1 P11511 3/20 0.41
ACHE P22303 1/20 0.41
MAOA P21397 3/20 0.39
ALKBH1 Q13686 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL13107652 0.91 MAOB (0.42) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL3442852 0.88 MAOB (0.50) MAOBCYP4F2CYP4A11PTGER4CYP19A1
SCHEMBL3442492 0.87 RAB9A (0.41) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL3442487 0.85 MAOB (0.46) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL3442976 0.85 RAB9A (0.46) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL3442779 0.84 MAOB (0.45) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL13123006 0.84 RAB9A (0.45) MAOBRAB9ACYP4F2CYP4A11PTGER4
SCHEMBL3442308 0.83 CACNA1B (0.43) MAOBMAPTNPSR1
SCHEMBL3442898 0.80 GHSR (0.42) PTGER4CYP3A4HRH3
SCHEMBL3443329 0.79 F2 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812037-B2 Dual antiplatelet/anticoagulant pyridoxine analogs MEDICURE INTERNATIONAL, INC. (BB) 2010-10-12 US disclosed
US-7812037-B2 Dual antiplatelet/anticoagulant pyridoxine analogs MEDICURE INTERNATIONAL, INC. (BB) 2010-10-12 US disclosed
EP-1817288-A4 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS MEDICURE INT INC (BB) 2009-08-26 EP disclosed
EP-1817288-A1 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS Medicure International Inc. (BB) 2007-08-15 EP disclosed
WO-2006050598-A1 DUAL ANTIPLATELET/ANTICOAGULANT PYRIDOXINE ANALOGS MEDICURE INTERNATIONAL INC. (CA) 2006-05-18 WO disclosed
US-20060094761-A1 Dual antiplatelet/anticoagulant pyridoxine analogs MEDICURE INTERNATIONAL INC. (CA) 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 (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-20060094761-A1 Dual antiplatelet/anticoagulant pyridoxine analogs PNPO, PLPBP, PRDX6 MAOB 260/4885RAB9A 3065/4885CYP4F2 471/4885

“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.