SCHEMBL10274480

SCHEMBL10274480

Cc1ccc2c(C(N)=O)cccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
PARP1 P09874 6/20 0.55
CYP1A2 P05177 1/20 0.53
PTPN1 P18031 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KDR P35968 5/20 0.45
AURKA O14965 4/20 0.45
MET P08581 4/20 0.45
TEK Q02763 4/20 0.45
AURKB Q96GD4 4/20 0.45
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
LYN P07948 1/20 0.44
HPGD P15428 2/20 0.43
PDPK1 O15530 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL8046349 0.87 KDM4E (0.73) KDM4EALDH1A1GAAPARP1CYP1A2
SCHEMBL27206810 0.85 CYP1A2 (0.57) PARP1CYP1A2PTPN1RAB9ANPC1
SCHEMBL31475700 0.85 CYP1A2 (0.57) PARP1CYP1A2PTPN1RAB9ANPC1
SCHEMBL9857199 0.84 CYP1A2 (0.55) KDM4EALDH1A1GAAPARP1CYP1A2
SCHEMBL344157 0.84 PTPN1 (0.66) KDM4EALDH1A1CYP1A2PTPN1RAB9A
SCHEMBL31522164 0.84 PTPN1 (0.66) KDM4EALDH1A1CYP1A2PTPN1RAB9A
SCHEMBL6913798 0.82 PTPN1 (0.64) KDM4EALDH1A1CYP1A2PTPN1RAB9A
SCHEMBL6917255 0.82 PTPN1 (0.64) KDM4EALDH1A1CYP1A2PTPN1RAB9A
SCHEMBL6913484 0.82 PTPN1 (0.64) KDM4EALDH1A1CYP1A2PTPN1RAB9A
SCHEMBL6917252 0.82 PTPN1 (0.64) KDM4EALDH1A1CYP1A2PTPN1RAB9A

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 11 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-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-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
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-1919907-B1 HETEROCYCLIC COMPOUND OTSUKA PHARMA CO LTD (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-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-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
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 (2 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 KDM4E 1270/4885ALDH1A1 408/4885GAA 3355/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 KDM4E 1270/4885ALDH1A1 408/4885GAA 3355/4885

“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.