SCHEMBL799078

SCHEMBL799078

Cc1cc(CBr)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
RAPGEF4 Q8WZA2 2/20 0.39
GRIN2B Q13224 1/20 0.38
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
IDH1 O75874 1/20 0.37
DAO P14920 1/20 0.35
NOTUM Q6P988 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NOS2 P35228 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
MAPT P10636 1/20 0.33
TACR1 P25103 1/20 0.33

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
SCHEMBL14570493 0.85 IDO1 (0.43) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL107565 0.84 IDO1 (0.52) IDO1DAOTACR1
SCHEMBL16767879 0.83 GRIN2B (0.44) IDO1RAPGEF4GRIN2BNOS1NOS3
Ammonia Solution, Strong SCHEMBL27149375 0.82 IDO1 (0.50) IDO1DAOTACR1
SCHEMBL806121 0.81 IDO1 (0.41) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL799008 0.81 IDO1 (0.41) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL4391448 0.81 TACR1 (0.43) HTR2AHTR2CHTR2BMAPTTACR1
SCHEMBL12679541 0.80 IDO1 (0.46) IDO1RAPGEF4MRGPRX4TACR1
SCHEMBL799344 0.79 RXRA (0.45) IDO1RAPGEF4GRIN2BNOS1NOS3
SCHEMBL823297 0.79 IDO1 (0.44) IDO1RAPGEF4GRIN2BNOS1NOS3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025895-A1 COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-01-25 US disclosed
US-11787804-B2 Compositions and methods for modulating hair growth THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-17 US disclosed
US-20230192718-A1 BICYCLIC ENONE CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF NIROGY THERAPEUTICS INC (US) 2023-06-22 US disclosed
US-9162991-B2 Cinnamoyl inhibitors of transglutaminase UNIVERSITY OF OTTAWA (CA) 2015-10-20 US disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE UNIVERSITE DE MONTREAL (CA) 2014-01-23 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-4950673-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1990-08-21 US disclosed
US-4816469-A 5-Amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1989-03-28 US disclosed
US-4721791-A 5-amino or substituted amino 1,2,3-triazoles MERCK & CO., INC. (US) 1988-01-26 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 (8 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 IDO1 1459/4885RAPGEF4 3563/4885GRIN2B 2972/4885
US-20230192718-A1 BICYCLIC ENONE CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF SLC16A1, SLC16A3, SLC16A7 IDO1 2147/4885RAPGEF4 2582/4885GRIN2B 1197/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 IDO1 60/4885RAPGEF4 1480/4885GRIN2B 4524/4885
US-11787804-B2 Compositions and methods for modulating hair growth PC, FH, SLC25A1 IDO1 981/4885RAPGEF4 3038/4885GRIN2B 2253/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS IDO1 269/4885RAPGEF4 2592/4885GRIN2B 4239/4885
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 IDO1 4859/4885RAPGEF4 207/4885GRIN2B 4499/4885
US-20240025895-A1 COMPOSITIONS AND METHODS FOR MODULATING HAIR GROWTH PC, FH, SLC25A1 IDO1 981/4885RAPGEF4 3038/4885GRIN2B 2253/4885
US-20140024837-A1 CINNAMOYL INHIBITORS OF TRANSGLUTAMINASE TGM2, TGM3, TFPI IDO1 2908/4885RAPGEF4 2867/4885GRIN2B 2054/4885

“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.