SCHEMBL66254

SCHEMBL66254

Clc1[c]sc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.36
CYP2A6 P11509 4/20 0.36
CYP1A2 P05177 3/20 0.36
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 5/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 5/20 0.32
ALOX15 P16050 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PMM2 O15305 1/20 0.32
G6PD P11413 1/20 0.32
MPI P34949 1/20 0.32
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
HSD17B10 Q99714 1/20 0.31
DDAH1 O94760 1/20 0.31

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
SCHEMBL767077 0.76 GPR3 (0.40) GPR3CYP2A6CYP1A2MCL1KDM4E
SCHEMBL317826 0.73 GPR3 (0.42) GPR3CYP2A6KDM4EEPAS1ALDH1A1
SCHEMBL65944 0.71 GPR3 (0.40) GPR3CYP2A6KDM4EEPAS1ALDH1A1
SCHEMBL66184 0.71 GPR3 (0.40) GPR3CYP2A6CYP1A2KDM4EEPAS1
SCHEMBL705050 0.71 HSD17B10 (0.40) CYP2A6CYP1A2ALDH1A1MAPTLMNA
SCHEMBL3136356 0.71 GPR3 (0.36) GPR3LOXL2CYP2A6CASP3KMT2A
SCHEMBL147923 0.70 BCKDK (0.41) ALDH1A1PMM2G6PDMPIMAPT
SCHEMBL884398 0.70 MPI (0.38) ALDH1A1PMM2G6PDMPIMAPT
SCHEMBL3529744 0.69 GPR3 (0.33) GPR3
SCHEMBL577481 0.68 MAPK1 (0.38) CYP2A6CYP1A2MCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US claimed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US claimed
EP-2803358-B1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN INC (US) 2017-05-03 EP claimed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2969003-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS The University of Chicago (US) 2016-01-20 EP claimed
US-9156810-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2015-10-13 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
EP-2803358-A1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2014-11-19 EP claimed
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042971-A2 NOVEL CATIONIC 2-SULPHONYLAMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
WO-2000043356-A1 NOVEL CATIONIC COUPLERS AND THEIR USE FOR OXIDATION DYEING L'OREAL (FR) 2000-07-27 WO claimed
EP-1006110-A1 DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2000-06-07 EP claimed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO claimed
US-5637592-A TREATING HELICOBACTER INFECTIONS, SUCH AS GASTRITIS, STOMACH ULCERS, DUODENAL ULCERS AND GASTRIC CANCER JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-10 US claimed
EP-0770074-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-02 EP claimed
WO-1996001822-A1 ANTI-HELICOBACTER ACYL DERIVATIVES OF AZOLONES JANSSEN PHARMACEUTICA N.V. (BE) 1996-01-25 WO claimed

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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR GPR3 3809/4885LOXL2 1515/4885CYP2A6 2557/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A GPR3 415/4885LOXL2 1781/4885CYP2A6 496/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR GPR3 3809/4885LOXL2 1515/4885CYP2A6 2557/4885

“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.