SCHEMBL9255317

SCHEMBL9255317

CC(C)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.45
SLC6A4 P31645 6/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HSP90AA1 P07900 1/20 0.44
PARP10 Q53GL7 1/20 0.44
HTR2A P28223 4/20 0.44
KCNH2 Q12809 4/20 0.44
JAK2 O60674 1/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A3 P47895 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL28858705 0.84 SLC6A4 (0.44) ALDH1A1SLC6A4PPARGPPARAHSP90AA1
SCHEMBL16606237 0.83 CSNK2A1 (0.44) ALDH1A1KMT2APARP10HTR2ABRD4
SCHEMBL3721647 0.83 LMNA (0.53) ALDH1A1KMT2ASLC6A4PARP10HTR2A
SCHEMBL10359812 0.83 PPARG (0.46) ALDH1A1SLC6A4PPARGPPARAHSP90AA1
SCHEMBL18129370 0.83 SLC6A4 (0.43) ALDH1A1SLC6A4PPARGPPARAHSP90AA1
SCHEMBL19612249 0.83 CSNK2A1 (0.58) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL15707806 0.83 SLC6A4 (0.43) ALDH1A1SLC6A4PPARGPPARAHSP90AA1
SCHEMBL10153913 0.83 KMT2A (0.53) ALDH1A1KMT2APARP10KDM4ELMNA
SCHEMBL2944833 0.81 CYP3A4 (0.45) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL3717795 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
WO-2017117406-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2017-07-06 WO disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
WO-2017106552-A1 POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AND COMBINATION THERAPY UNIVERSITY OF NOTRE DAME DU LAC (US) 2017-06-22 WO disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
US-8980543-B2 Method of measuring enzyme activity by multi-dimensional nuclear magnetic resonance CANON KABUSHIKI KAISHA (JP) 2015-03-17 US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed
EP-0035927-B1 PROCESS FOR THE PREPARATION OF CHLOROALKOXY BENZENES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-01-26 EP disclosed
EP-0035927-A1 Process for the preparation of chloroalkoxy benzenes RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1981-09-16 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 (3 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 ALDH1A1 912/4885KMT2A 277/4885SLC6A4 1222/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 ALDH1A1 1306/4885KMT2A 251/4885SLC6A4 1432/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR ALDH1A1 1503/4885KMT2A 323/4885SLC6A4 661/4885

“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.