SCHEMBL2783308

SCHEMBL2783308

O=C(O)c1cc(C(=O)N2CCOCC2)nn1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.50
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
F2 P00734 1/20 0.43
PLAT P00750 1/20 0.43
KLK1 P06870 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL2782337 0.96 F10 (0.48) F10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2779558 0.94 F10 (0.49) F10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2781719 0.92 F10 (0.48) F10NPC1RAB9AF2PLAT
SCHEMBL2782382 0.92 F10 (0.48) F10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2781726 0.91 F10 (0.46) F10NPC1RAB9AF2PLAT
SCHEMBL2782297 0.90 F10 (0.47) F10NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2783613 0.89 F10 (0.49) F10F2PLATKLK1
SCHEMBL2782300 0.88 F10 (0.46) F10F2PLATKLK1
SCHEMBL1456862 0.88 F10 (0.49) F10F2
SCHEMBL2779827 0.87 F10 (0.45) F10F2PLATKLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-14 US claimed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed
US-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-11 US claimed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP claimed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP claimed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US claimed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO claimed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 EP claimed
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-01-14 US disclosed
EP-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP disclosed
US-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-11 US disclosed
US-7429581-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-09-30 US disclosed
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP disclosed
EP-1479678-A1 Pyrazole-derivatives as factor xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 EP disclosed
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-14 US disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed
EP-1433788-A1 Pyrazole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-06-30 EP 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 (3 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-20080306056-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 F10 10/4885NPC1 3683/4885RAB9A 774/4885
US-20040204406-A1 Pyrazole-derivatives as factor Xa inhibitors F11, F5, F12 F10 11/4885NPC1 3705/4885RAB9A 540/4885
US-20100010045-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS F12, F5, F11 F10 10/4885NPC1 4204/4885RAB9A 498/4885

“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.