SCHEMBL4659563

SCHEMBL4659563

CCOC(=O)C(=CN(C)C)C(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.39
CYP11B2 P19099 10/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL9561743 1.00 CYP11B1 (0.39) CYP11B1CYP11B2CYP2C9MEN1KMT2A
SCHEMBL4659561 1.00 CYP11B1 (0.39) CYP11B1CYP11B2CYP2C9MEN1KMT2A
SCHEMBL10717613 0.89 MAPT (0.38) CYP2C9MEN1KMT2AMAPTCYP1A2
SCHEMBL10515520 0.89 MAPT (0.38) CYP2C9MEN1KMT2AMAPTCYP1A2
SCHEMBL10513252 0.87 MAPT (0.42) CYP11B1CYP11B2MAPT
SCHEMBL10513257 0.87 MAPT (0.42) CYP11B1CYP11B2MAPT
SCHEMBL14111349 0.87 MAPT (0.42) CYP2C9MEN1KMT2AMAPTCYP1A2
SCHEMBL6664951 0.84 MAPT (0.40) CYP2C9MEN1KMT2AMAPTCYP1A2
SCHEMBL6339979 0.84 KMT2A (0.42) CYP11B1CYP11B2CYP2C9MEN1KMT2A
SCHEMBL17193050 0.84 KMT2A (0.42) CYP11B1CYP11B2CYP2C9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0176846-B1 3-AMINO-2-BENZOYL-ACRYLIC-ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-08-16 EP claimed
US-4699992-A 3-amino-2-benzoylacrylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1987-10-13 US claimed
EP-0176846-A2 3-Amino-2-benzoyl-acrylic-acid derivatives and process for their preparation BAYER AG (DE) 1986-04-09 EP claimed
EP-1503759-B1 SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF UNIV CALIFORNIA (US) 2008-12-17 EP disclosed
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof JOHNSTONE TIMOTHY B C 2008-07-24 US disclosed
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof JOHNSTONE TIMOTHY B C 2008-07-24 US disclosed
US-7355047-B2 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-7355047-B2 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 US disclosed
US-20060178516-A1 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof OXFORD FINANCE CORPORATION 2006-08-10 US disclosed
EP-1503759-A4 SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF UNIV CALIFORNIA (US) 2006-02-15 EP disclosed
EP-1503759-A2 SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-09 EP disclosed
WO-2003097564-A2 SUBSTITUTED QUINOLONE CARBOXYLIC ACIDS, THEIR DERIVATIVES, SITE OF ACTION, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-11-27 WO disclosed
EP-0457090-B1 Process for the preparation of 3-amino-2 (het)aroyl-acrylic acid derivatives BAYER AG (DE) 1995-11-29 EP disclosed
US-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0457090-A2 Process for the preparation of 3-amino-2 (het)aroyl-acrylic acid derivatives BAYER AG (DE) 1991-11-21 EP disclosed
EP-0176846-B1 3-AMINO-2-BENZOYL-ACRYLIC-ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-08-16 EP disclosed
US-4699992-A 3-amino-2-benzoylacrylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1987-10-13 US disclosed
EP-0176846-A2 3-Amino-2-benzoyl-acrylic-acid derivatives and process for their preparation BAYER AG (DE) 1986-04-09 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 (2 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-20060178516-A1 Substituted quinolone carboxylic acids, their derivatives, site of action, and uses thereof GABRB2, GABRB1, GABRB3 CYP11B1 102/4885CYP11B2 87/4885CYP2C9 1144/4885
US-20080176897-A1 Substituted Quinolone Carboxylic Acids, Their Derivatives, Site of Action, And Uses Thereof GABRB2, GABRB1, GABRB3 CYP11B1 102/4885CYP11B2 87/4885CYP2C9 1144/4885

“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.