SCHEMBL4911432

SCHEMBL4911432

O=C(NCc1cn(-c2ccc(N3CCOCC3=O)cc2F)c(-c2ccncc2)n1)c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.59
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.52
ABCB11 O95342 1/20 0.50
F2 P00734 1/20 0.50
ST14 Q9Y5Y6 1/20 0.50
PTGS2 P35354 1/20 0.47

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
SCHEMBL4911161 0.89 F10 (0.58) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4901720 0.88 F10 (0.52) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4909311 0.88 F10 (0.57) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4910162 0.87 F10 (0.55) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4908946 0.87 F10 (0.55) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL8247047 0.86 F10 (0.57) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4916214 0.85 F10 (0.58) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4900460 0.85 F10 (0.57) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL1096902 0.84 F10 (0.63) F10CYP3A4CYP2C8CYP2C9KCNH2
SCHEMBL4909468 0.83 F10 (0.62) F10CYP3A4CYP2C8CYP2C9KCNH2

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 2 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

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 2414/4885CYP3A4 51/4885CYP2C8 103/4885

“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.