SCHEMBL4911965

SCHEMBL4911965

O=C(NCc1nc(-c2ccc(N3CCOCC3=O)cc2)no1)c1ccc(Cl)s1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.63
ABCB11 O95342 1/20 0.59
F2 P00734 1/20 0.59
ST14 Q9Y5Y6 1/20 0.59
PTGS2 P35354 1/20 0.56
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4908677 0.82 F10 (0.61) F10ABCB11F2ST14PTGS2
SCHEMBL4903522 0.81 F10 (0.61) F10ABCB11F2ST14PTGS2
SCHEMBL8208813 0.79 F10 (0.68) F10ABCB11F2ST14PTGS2
SCHEMBL4911161 0.79 F10 (0.58) F10ABCB11F2ST14PTGS2
SCHEMBL29531354 0.79 F10 (0.65) F10ABCB11F2ST14PTGS2
SCHEMBL1097012 0.79 F10 (0.62) F10F2
SCHEMBL1097501 0.79 F10 (0.62) F10ABCB11F2ST14PTGS2
SCHEMBL1277570 0.78 F10 (0.61) F10ABCB11F2ST14PTGS2
SCHEMBL1096523 0.78 MAPT (0.47) F10
SCHEMBL8245873 0.78 F10 (0.61) F10ABCB11F2ST14PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
US-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 US disclosed
WO-2007025940-A1 SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-08 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 F10 2414/4885ABCB11 5/4885F2 250/4885

“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.