SCHEMBL3442298

SCHEMBL3442298

Cc1ncc(C=O)c(C)c1OCc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SMPD1 P17405 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALKBH1 Q13686 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL3442225 0.85 PDCD1 (0.48) MAOBSCN8AALOX5APFEN1CYP4F2
SCHEMBL4049346 0.82 CCNB2 (0.43) MAOBMAPTTDP1
SCHEMBL13123009 0.82 PGR (0.39) RAB9AMAPTCYP11B1CYP11B2CYP3A4
SCHEMBL3442163 0.81 MAOB (0.38) MAOBRAB9AMAPTTSHRRECQL
SCHEMBL3442164 0.81 MAOB (0.38) MAOBRAB9AMAPTTSHRRECQL
SCHEMBL13107567 0.80 LMNA (0.33) MAOBMAPTALOX5AP
SCHEMBL13123006 0.78 RAB9A (0.45) MAOBRAB9ACYP4F2CYP4A11CYP3A4
SCHEMBL3442500 0.78 MAOB (0.50) MAOBRAB9AMAPTTSHRRECQL
SCHEMBL3442492 0.78 RAB9A (0.41) MAOBRAB9AMAPTTSHRRECQL
SCHEMBL3442308 0.77 CACNA1B (0.43) MAOBMAPTNPSR1SCN8ALOXL2

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 3065/4885MAPT 4623/4885

“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.