SCHEMBL5656720

SCHEMBL5656720

COc1c[c]c(NC(=O)c2ccc(C#N)cc2)cc1-c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
S1PR3 Q99500 3/20 0.41
F10 P00742 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.40
DUSP3 P51452 1/20 0.40
SCN9A Q15858 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL3528149 0.87 S1PR3 (0.46) RAB9ATP53SMN1; SMN2KMT2AMEN1
SCHEMBL7247994 0.80 F10 (0.46) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL6712654 0.72 F10 (0.72) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL28265311 0.70 RAB9A (0.68) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL6711168 0.69 F10 (0.68) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL5934264 0.68 MEN1 (0.58) RAB9ANPC1TP53CYP1A2CYP3A4
SCHEMBL254113 0.67 F10 (0.72) F10
Hydrochloric Acid SCHEMBL160886 0.66 F10 (0.71) F10
SCHEMBL890676 0.66 F10 (0.74) F10
SCHEMBL14366616 0.65 F10 (0.61) RAB9ANPC1TP53CYP1A2CYP3A4

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
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed
EP-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 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 (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-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT RAB9A 3299/4885NPC1 2797/4885TP53 1948/4885

“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.