SCHEMBL5533985

SCHEMBL5533985

C#Cc1cc(OC)c(NC(=O)c2ccc(N=CN3CCC(C(=O)OCC)CC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.63
F10 P00742 12/20 0.45
F2 P00734 9/20 0.42
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL5531631 0.94 KCNH2 (0.54) KCNH2F10F2MEN1NPC1
SCHEMBL5529598 0.92 KCNH2 (0.58) KCNH2F10F2
SCHEMBL5537345 0.92 KCNH2 (0.51) KCNH2F10F2MEN1NPC1
SCHEMBL5533838 0.91 KCNH2 (0.51) KCNH2F10F2MEN1NPC1
SCHEMBL5535968 0.89 F10 (0.55) KCNH2F10KMT2A
SCHEMBL5534017 0.86 KCNH2 (0.49) KCNH2F10F2NPC1RAB9A
SCHEMBL5532886 0.85 KCNH2 (0.53) KCNH2F10F2KMT2A
SCHEMBL5532890 0.85 KCNH2 (0.53) KCNH2F10F2KMT2A
SCHEMBL14345306 0.85 KCNH2 (0.86) KCNH2F10F2
SCHEMBL5528366 0.85 F10 (0.55) KCNH2F10KMT2A

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
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO claimed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP disclosed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 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-20030069250-A1 Benzamide inhibitors of factor Xa SERPINC1, TFPI, F12 KCNH2 1203/4885F10 10/4885F2 16/4885

“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.