SCHEMBL299514

SCHEMBL299514

Cc1cc([O])c2ccccc2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.43
CYP2A6 P11509 4/20 0.43
TSHR P16473 3/20 0.43
CYP2C19 P33261 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NQO2 P16083 1/20 0.35
ACHE P22303 2/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL7557418 0.77 HTT (0.63) CYP1A2TSHRALDH1A1LMNAHTT
SCHEMBL598073 0.77 CYP1A2 (0.55) CYP1A2CYP2A6TSHRCYP2C19TNKS2
SCHEMBL29845550 0.77 CYP1A2 (0.55) CYP1A2CYP2A6TSHRCYP2C19TNKS2
SCHEMBL19308940 0.77 CYP1A2 (0.48) CYP1A2CYP2A6TSHRCYP2C19TNKS2
SCHEMBL7304480 0.76 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1KDM4ENQO2
SCHEMBL7304487 0.74 TSHR (0.46) CYP1A2CYP2A6TSHRALDH1A1KDM4E
SCHEMBL24527724 0.71 CYP1A2 (0.43) CYP1A2CYP2A6TSHRCYP2C19TNKS2
SCHEMBL6700939 0.71 ALDH1A1 (0.44) CYP1A2CYP2A6TSHRCYP2C19TNKS2
SCHEMBL4631028 0.71 HTT (0.68) CYP1A2CYP2A6TSHRCYP2C19ALDH1A1
SCHEMBL9839731 0.71 ALDH1A1 (0.50) CYP1A2CYP2A6TSHRCYP2C19TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
CN-102850336-A DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMA CO LTD 2013-01-02 CN disclosed
CN-102702182-A Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-10-03 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287161-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2284169-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-03-14 EP disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
EP-1919907-B9 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-01-18 EP disclosed
US-8071600-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (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-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CYP1A2 103/4885CYP2A6 344/4885TSHR 168/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 CYP1A2 103/4885CYP2A6 344/4885TSHR 168/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 CYP1A2 103/4885CYP2A6 344/4885TSHR 168/4885

“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.