SCHEMBL1095841

SCHEMBL1095841

N#Cc1ccc(C2=NOC(CNC(=O)c3ccc(Cl)s3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK10 P53779 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL1096474 0.89 NPC1 (0.52) F10NPC1RAB9A
SCHEMBL1002307 0.87 F10 (0.46) F10SMN1; SMN2NPC1RAB9A
SCHEMBL1101328 0.87 F10 (0.46) F10SMN1; SMN2NPC1RAB9A
SCHEMBL1095450 0.87 F10 (0.48) F10SMN1; SMN2NPC1RAB9A
SCHEMBL1096472 0.86 F10 (0.55) F10
SCHEMBL1096286 0.86 F10 (0.48) F10NPC1RAB9A
SCHEMBL1095599 0.86 F10 (0.47) F10NPC1RAB9A
SCHEMBL1097180 0.84 RAB9A (0.60) SMN1; SMN2NPC1RAB9A
SCHEMBL1106529 0.84 F10 (0.44) F10SMN1; SMN2NPC1RAB9A
SCHEMBL12926680 0.84 F10 (0.45) F10SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885SMN1; SMN2 4168/4885ALDH1A1 974/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885SMN1; SMN2 4168/4885ALDH1A1 974/4885

“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.