SCHEMBL378030

SCHEMBL378030

Cc1c(-c2ccccc2)c(=O)[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
DAO P14920 1/20 0.59
DDO Q99489 1/20 0.59
PDE9A O76083 2/20 0.55
RAB9A P51151 1/20 0.53
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
MAPK14 Q16539 2/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 3/20 0.50
AHR P35869 1/20 0.50
MEN1 O00255 1/20 0.50
TNKS O95271 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PARP1 P09874 1/20 0.50
GPR3 P46089 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL8987076 0.86 MAPT (0.60) MAPTDAODDOPDE9ARAB9A
SCHEMBL28132803 0.83 MAPT (0.71) MAPTPDE9ACDK5CDK5R1ESR1
SCHEMBL6220014 0.79 DAO (0.69) MAPTDAODDORAB9ACDK5
SCHEMBL29206325 0.79 MAPT (0.65) MAPTPDE9ARAB9ACDK5CDK5R1
SCHEMBL4455323 0.79 MAPT (1.00) MAPTDAODDOPDE9AKDM4E
SCHEMBL6825380 0.79 MAPT (0.65) MAPTPDE9ACDK5CDK5R1ESR1
SCHEMBL1239816 0.79 MAPT (0.65) MAPTPDE9AESR1ESR2MAPK14
SCHEMBL10647366 0.79 ESR1 (0.52) MAPTDAODDOESR1ESR2
SCHEMBL10648743 0.78 MAPT (0.59) MAPTPDE9ARAB9AESR1ESR2
SCHEMBL30875869 0.77 MAPT (0.58) MAPTPDE9AESR1ESR2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-RE48059-E1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-06-23 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-02 US disclosed
US-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-28 US disclosed
US-9839637-B1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-9839637-B1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-12-12 US disclosed
US-7888362-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
US-7888362-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
EP-1869025-B1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMA CO LTD (JP) 2011-01-26 EP disclosed
WO-2010107816-A2 NUCLEIC ACID BINDING DYES AND USES THEREFOR PROMEGA CORPORATION (US) 2010-09-23 WO disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
WO-2000066664-A1 AZA-BENZAZOLIUM CONTAINING CYANINE DYES MOLECULAR PROBES, INC. (US) 2000-11-09 WO disclosed
EP-0093521-B1 QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-24 EP disclosed
US-4607039-A 2-(AMINO-ALKYL-THIO OR -OXY) SUBSTITUTED IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-08-19 US disclosed
EP-0093521-A2 Quinoline derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-09 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 (7 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-20170368060-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C MAPT 80/4885DAO 1589/4885DDO 1081/4885

“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.