SCHEMBL1039281

SCHEMBL1039281

Cc1cc(=O)[nH]c2cc(OCCCCl)ccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
GLA P06280 2/20 0.57
GAA P10253 2/20 0.57
PPARA Q07869 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
TNKS2 Q9H2K2 7/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 1/20 0.43
PARP1 P09874 1/20 0.42
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL1038244 0.96 KDM4E (0.61) KDM4EGLAGAAPPARASMN1; SMN2
SCHEMBL10285854 0.90 KDM4E (0.65) KDM4EGLAGAAPPARASMN1; SMN2
SCHEMBL11068508 0.88 LMNA (0.54) KDM4EGLAGAAPPARASMN1; SMN2
SCHEMBL30634405 0.78 KDM4E (1.00) KDM4EGLAGAASMN1; SMN2TP53
SCHEMBL394584 0.78 KDM4E (1.00) KDM4EGLAGAASMN1; SMN2TP53
SCHEMBL7031275 0.78 PDE3B (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDPARP1
SCHEMBL2795363 0.77 CTSV (0.65) KDM4EGLAGAAPPARASMN1; SMN2
SCHEMBL1039407 0.77 DRD2 (0.52)
SCHEMBL17439462 0.77 KDM4E (0.57) KDM4EGLAGAAPPARASMN1; SMN2
SCHEMBL11084557 0.77 ACHE (0.58) KDM4EALDH1A1

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 26 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-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-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-17 US disclosed
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-05 US disclosed
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-20 US disclosed
US-8349840-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-08 US disclosed
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2011-06-23 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
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-1869025-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
WO-2006112464-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-10-26 WO disclosed
US-4824840-A ANTIHISTAMINES, NERVOUS SYSTEM CONTROLLERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 US disclosed
US-4734416-A ANTIHISTAMINES, CENTRAL NERVOUS SYSTEM CONTROLLING ACTION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-03-29 US 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 (11 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 KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20100179322-A1 Piperazine-substituted benzothiophenes for treatment of mental disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20200237755-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20190117648-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20170000786-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20180214444-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20170231983-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20110152286-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C KDM4E 1553/4885GLA 4288/4885GAA 3237/4885

“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.