SCHEMBL777690

SCHEMBL777690

S=c1[nH]c2cc(Cl)ccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 10/20 1.00
TSHR P16473 2/20 0.61
CYP1A2 P05177 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 1/20 0.61
ADRA2A P08913 1/20 0.61
NOS3 P29474 1/20 0.61
NOS1 P29475 1/20 0.61
NOS2 P35228 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
KDM4E B2RXH2 4/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 6/20 0.53
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL779231 0.84 PSMB8 (1.00) PSMB8TSHRCYP1A2NPSR1LMNA
SCHEMBL12716526 0.79 KDM4E (0.82) PSMB8NOS3NOS1NOS2KDM4E
SCHEMBL10897160 0.78 PSMB8 (0.63) PSMB8LMNAKDM4EGAAMEN1
Chlorzoxazone SCHEMBL35178 0.76 NOS1 (1.00) PSMB8TSHRCYP1A2NPSR1LMNA
Zoxazolamine SCHEMBL27880866 0.76 PSMB8 (0.61) PSMB8TSHRCYP1A2NPSR1LMNA
Chlorzoxazone SCHEMBL29720120 0.76 NOS1 (1.00) PSMB8TSHRCYP1A2NPSR1LMNA
SCHEMBL780268 0.76 PSMB8 (0.61) PSMB8KDM4EGAAMEN1KMT2A
SCHEMBL14403384 0.76 PSMB8 (0.72) PSMB8KDM4EGAAMEN1KMT2A
SCHEMBL4704344 0.76 PSMB8 (0.61) PSMB8NOS3NOS1NOS2KDM4E
SCHEMBL33524090 0.76 PSMB8 (0.61) PSMB8NOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4686757-A1 INHIBITORS OF EXPRESSION AND/OR FUNCTION e-therapeutics PLC (GB) 2026-02-04 EP disclosed
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-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 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-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 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-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
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US 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
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 (4 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 1752/4885TSHR 1620/4885CYP1A2 1576/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 PSMB8 1614/4885TSHR 1370/4885CYP1A2 1312/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 PSMB8 1752/4885TSHR 1620/4885CYP1A2 1576/4885
US-20100144712-A1 TRIAZOLE DERIVATIVES HAVING ANTIFUNGAL ACTIVITY, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CYP51A1, ERG28, CYP3A7 PSMB8 2276/4885TSHR 3394/4885CYP1A2 20/4885

“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.