SCHEMBL9339256

SCHEMBL9339256

COC(=O)c1ccccc1NC(=O)c1ccc(C)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C19 P33261 1/20 0.76
KDM4E B2RXH2 6/20 0.75
MAPT P10636 5/20 0.75
KMT2A Q03164 5/20 0.75
ALDH1A1 P00352 4/20 0.75
ALOX12 P18054 2/20 0.75
APOBEC3A P31941 1/20 0.69
APOBEC3G Q9HC16 1/20 0.69
HPGD P15428 3/20 0.67
MAPK10 P53779 2/20 0.67
HSD17B10 Q99714 2/20 0.66
GAA P10253 2/20 0.66
MAPK1 P28482 2/20 0.66
ELANE P08246 1/20 0.65
PRTN3 P24158 1/20 0.65
MEN1 O00255 3/20 0.61
POLB P06746 3/20 0.61

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
SCHEMBL11665959 0.89 TSHR (0.77) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4203434 0.88 TSHR (0.76) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4459274 0.86 TSHR (1.00) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL11045073 0.86 F10 (0.77) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL29378181 0.86 TSHR (1.00) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL22445033 0.86 TSHR (0.74) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6242064 0.85 TSHR (0.80) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL6108092 0.85 TSHR (0.72) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL13719210 0.85 TSHR (0.72) TSHRCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL29050680 0.84 RAB9A (0.64) KDM4EMAPTKMT2AALDH1A1ALOX12

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
US-8552065-B2 Biarylamide derivative and compositions containing the derivative as an active ingredient CATHOLIC UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2013-10-08 US disclosed
US-8552065-B2 Biarylamide derivative and compositions containing the derivative as an active ingredient CATHOLIC UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2013-10-08 US disclosed
US-20120289595-A1 NOVEL BIARYLAMIDE DERIVATIVE AND COMPOSITIONS CONTAINING THE DERIVATIVE AS AN ACTIVE INGREDIENT CATHOLIC UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2012-11-15 US disclosed
US-20120289595-A1 NOVEL BIARYLAMIDE DERIVATIVE AND COMPOSITIONS CONTAINING THE DERIVATIVE AS AN ACTIVE INGREDIENT CATHOLIC UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION (KR) 2012-11-15 US disclosed
US-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 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-20120289595-A1 NOVEL BIARYLAMIDE DERIVATIVE AND COMPOSITIONS CONTAINING THE DERIVATIVE AS AN ACTIVE INGREDIENT TYR, MITF, MC1R TSHR 3003/4885CYP1A2 328/4885CYP2D6 2699/4885

“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.