SCHEMBL5326283

SCHEMBL5326283

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.79
CYP11B2 P19099 4/20 0.79
MAP4K4 O95819 1/20 0.64
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
KDM1A O60341 1/20 0.57
HDAC1 Q13547 1/20 0.57
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
ATM Q13315 1/20 0.54
CYP2A6 P11509 1/20 0.52
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
CTSA P10619 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.49
XDH P47989 2/20 0.49
CHEK1 O14757 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1179945 0.88 CYP11B2 (1.00) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL3715051 0.87 ATM (0.69) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1
SCHEMBL24499480 0.86 MAP4K4 (0.66) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL25002964 0.86 CYP11B2 (0.63) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL25002936 0.85 CYP11B1 (0.64) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL640295 0.85 CYP11B1 (0.60) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL3713278 0.85 CYP11B1 (0.64) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL25002911 0.85 CYP11B1 (0.64) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL640664 0.85 SCN10A (0.67) CYP11B1CYP11B2MAP4K4CYP1A2CYP3A4
SCHEMBL4592444 0.84 CYP11B1 (0.62) CYP11B1CYP11B2MAP4K4MKNK1MKNK2

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 10 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
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 WO disclosed
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 EP 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E CYP11B1 2268/4885CYP11B2 2472/4885MAP4K4 3311/4885

“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.