SCHEMBL5532509

SCHEMBL5532509

C#CCN(C)C(=N)c1ccc(-c2cc(OC)c(C(N)=O)c(C(=O)Nc3ccc(C#C)cn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
ABCB1 P08183 2/20 0.39
ABCC1 P33527 1/20 0.39
KCNH2 Q12809 3/20 0.37
F2 P00734 2/20 0.37
KLKB1 P03952 1/20 0.36
FGFR3 P22607 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
SCHEMBL5530380 0.93 F10 (0.47) F10ABCB1ABCC1KCNH2F2
SCHEMBL5531799 0.92 F10 (0.46) F10ABCB1ABCC1KCNH2F2
SCHEMBL5541061 0.92 F10 (0.46) F10ABCB1ABCC1KCNH2F2
SCHEMBL5530794 0.91 F10 (0.56) F10KCNH2F2
SCHEMBL7132134 0.82 F10 (0.44) F10ABCB1ABCC1KCNH2FGFR3
SCHEMBL5532539 0.79 F10 (0.53) F10ABCC1F2
SCHEMBL5534784 0.77 F10 (0.62) F10KCNH2F2
SCHEMBL5534121 0.75 ABCB1 (0.37) F10ABCB1ABCC1
SCHEMBL14345159 0.74 F10 (0.82) F10KCNH2KLKB1
SCHEMBL14345374 0.72 F10 (0.54) F10KCNH2F2

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-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US claimed
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP claimed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US 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
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
US-20030069250-A1 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-04-10 US disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 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-20030069250-A1 Benzamide inhibitors of factor Xa SERPINC1, TFPI, F12 F10 10/4885ABCB1 2633/4885ABCC1 2827/4885

“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.