SCHEMBL6607451

SCHEMBL6607451

O=C(O)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
AR P10275 3/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
CES2 O00748 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
TBXA2R P21731 1/20 0.41
AADAC P22760 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL27615949 0.94 RORC (0.43) RORCALDH1A1CYP3A4ARLMNA
SCHEMBL22636966 0.84 AR (0.42) ALDH1A1CYP3A4ARLMNAALOX15
SCHEMBL17336846 0.84 MAPT (0.46) ALDH1A1CYP3A4ARLMNAALOX15
SCHEMBL6609242 0.83 MEN1 (0.47) ALDH1A1CYP3A4LMNAHTTCYP1A2
SCHEMBL5562720 0.82 LMNA (0.43) RORCALDH1A1CYP3A4ARLMNA
SCHEMBL31495022 0.82 AR (0.43) RORCALDH1A1CYP3A4ARLMNA
SCHEMBL463022 0.82 NPSR1 (0.47) RORCALDH1A1CYP3A4ARLMNA
SCHEMBL27615854 0.81 MAPT (0.46) ALDH1A1CYP3A4ARLMNAALOX15
SCHEMBL1067339 0.81 CXCR2 (0.43) RORCALDH1A1CYP3A4LMNAMAPK1
SCHEMBL1067337 0.81 CXCR2 (0.43) RORCALDH1A1CYP3A4LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators Grey Wolf Therapeutics Limited (GB) 2024-07-02 US disclosed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP disclosed
WO-2020225569-A1 PHENYL-SULFAMOYL.BENZOYC ACIDS AS ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2020-11-12 WO disclosed
US-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2020-11-05 US disclosed
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-24 US disclosed
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-17 US disclosed
US-9969726-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMS) and uses thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-08-03 US disclosed
EP-3154954-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford-Burnham Medical Research Institute (US) 2017-04-19 EP disclosed
WO-2015191630-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-17 WO disclosed
CN-100497333-C Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
CN-1268626-C Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
CN-1633430-A Dihydrobenzodiazepin-2-one derivatives for the treatment of neurological disorders HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
CN-1522252-A Dihydro-benzo(b)(1,4)diazepin-2-one derivatives as mglur2 antagonists I - 2004-08-18 CN disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO 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 (6 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-20200347021-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 RORC 1194/4885ALDH1A1 4541/4885CYP3A4 4663/4885
US-20170217951-A1 Metabotropic Glutamate Receptor Negative Allosteric Modulators (NAMS) and Uses Thereof GRM3, GRM2, GRM1 RORC 1194/4885ALDH1A1 4541/4885CYP3A4 4663/4885
US-12023333-B2 Phenyl-sulfamoyl.benzoyc acids as ERAP1 modulators ERAP1, CHP1, QSOX1 RORC 525/4885ALDH1A1 1431/4885CYP3A4 3298/4885
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 RORC 1194/4885ALDH1A1 4541/4885CYP3A4 4663/4885
US-20190016715-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 RORC 1194/4885ALDH1A1 4541/4885CYP3A4 4663/4885
US-10597367-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 RORC 1194/4885ALDH1A1 4541/4885CYP3A4 4663/4885

“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.