SCHEMBL779231

SCHEMBL779231

S=c1[nH]c2ccc(Cl)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 12/20 1.00
KEAP1 Q14145 1/20 0.61
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HAVCR2 Q8TDQ0 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL777690 0.84 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8699552 0.81 PSMB8 (0.68) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8697342 0.79 PSMB8 (0.64) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL8701281 0.79 PSMB8 (0.64) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL25338094 0.76 PSMB8 (0.61) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL1519891 0.76 NOS1 (0.72) PSMB8ALDH1A1KDM4EGAATSHR
SCHEMBL16150847 0.76 PSMB8 (0.61) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL118671 0.76 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL799525 0.76 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA
SCHEMBL31389040 0.76 PSMB8 (1.00) PSMB8KEAP1ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312878-A1 RUBBER COMPOSITION AND CROSSLINKED RUBBER MOLDED PRODUCT SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2023-10-05 US disclosed
US-20230312878-A1 RUBBER COMPOSITION AND CROSSLINKED RUBBER MOLDED PRODUCT SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2023-10-05 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
EP-2044038-B1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CORNERSTONE THERAPEUTICS INC (US) 2014-07-02 EP disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-06-10 US disclosed
EP-2167490-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2010-03-31 EP disclosed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2008153325-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-18 WO disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 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 (5 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885ALDH1A1 1032/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885ALDH1A1 1032/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 PSMB8 1614/4885KEAP1 1980/4885ALDH1A1 814/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885KEAP1 1862/4885ALDH1A1 1032/4885
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 PSMB8 2276/4885KEAP1 2458/4885ALDH1A1 1486/4885

“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.