SCHEMBL4592444

SCHEMBL4592444

COC(=O)c1cncc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.62
CYP11B2 P19099 2/20 0.62
SCN10A Q9Y5Y9 6/20 0.59
MAP4K4 O95819 1/20 0.56
SCN2A Q99250 5/20 0.54
ATM Q13315 1/20 0.54
ALPL P05186 2/20 0.53
CYP2A6 P11509 1/20 0.52
XDH P47989 2/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
MAPT P10636 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
SCHEMBL3715051 0.87 ATM (0.69) CYP11B1CYP11B2ATMCYP2A6XDH
SCHEMBL25002964 0.86 CYP11B2 (0.63) CYP11B1CYP11B2MAP4K4ATMCYP2A6
SCHEMBL4432846 0.85 CYP11B1 (0.63) CYP11B1CYP11B2SCN10AATMCYP2A6
SCHEMBL2906199 0.84 CYP11B1 (0.62) CYP11B1CYP11B2SCN10AATMCYP2A6
SCHEMBL5326283 0.84 CYP11B1 (0.79) CYP11B1CYP11B2SCN10AMAP4K4ATM
SCHEMBL30415838 0.84 MKNK1 (0.65) CYP11B1CYP11B2MAP4K4ALPLMKNK1
SCHEMBL21392047 0.84 MKNK1 (0.65) CYP11B1CYP11B2MAP4K4ALPLMKNK1
SCHEMBL9008962 0.84 CYP11B1 (0.61) CYP11B1CYP11B2ATMCYP2A6XDH
SCHEMBL4592371 0.84 CYP11B1 (0.58) CYP11B1CYP11B2ATMALPLCYP2A6
SCHEMBL641553 0.83 CYP11B1 (0.60) CYP11B1CYP11B2MAP4K4ATMCYP2A6

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
WO-2023010192-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS EUROFARMA LABORATÓRIOS S.A. (BR) 2023-02-09 WO disclosed
US-7429605-B2 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
CN-101213186-A Phenylpyridine derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
EP-1912969-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-23 EP disclosed
WO-2007017169-A1 PHENYLPYRIDINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO disclosed
US-20070032530-A1 Phenylpyridine derivatives HOFFMANN-LA ROCHE INC. 2007-02-08 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-20070032530-A1 Phenylpyridine derivatives CYP3A5, QDPR, DPYD CYP11B1 127/4885CYP11B2 103/4885SCN10A 1868/4885

“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.