SCHEMBL4903302

SCHEMBL4903302

C=Cc1ccccc1C(=O)NC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PLK1 P53350 2/20 0.50
BRD4 O60885 3/20 0.40
POLB P06746 2/20 0.40
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAPK10 P53779 1/20 0.38
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.37
CXCR2 P25025 1/20 0.37

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
Ethane SCHEMBL28020377 0.83 GAA (0.50) GAAALDH1A1CYP1A2HPGD
SCHEMBL728983 0.82 GAA (0.55) GAAPLK1BRD4POLBKAT2B
SCHEMBL17255814 0.82 GAA (0.53) GAAALDH1A1CYP1A2HPGD
SCHEMBL5477577 0.81 CTSD (0.49) GAAALDH1A1CYP1A2HPGD
SCHEMBL28638865 0.80 PTGS2 (0.42) POLBALDH1A1
SCHEMBL23346944 0.79 GAA (0.52) GAAPLK1BRD4POLBKAT2B
SCHEMBL30954205 0.79 GAA (0.52) GAAPLK1BRD4POLBKAT2B
SCHEMBL7807778 0.79 GAA (0.52) GAAPLK1BRD4KAT2BBAZ2B
SCHEMBL2344909 0.79 GAA (0.71) GAAPLK1BRD4POLBKAT2B
SCHEMBL21546434 0.78 ALDH1A1 (0.39) GAAPLK1POLBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-22 US disclosed
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-9206167-B2 Piperazine-substituted benzothiophenes for treatment of mental disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-12 US disclosed
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-06-20 US disclosed
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
EP-0432727-B1 Electrophotographic light-sensitive material FUJI PHOTO FILM CO LTD (JP) 1995-07-05 EP disclosed
US-5227272-A Layer containing inorganic photoconductor and binder resin with block copolymer composed of acidic component and hydrocarbyl methacrylate component FUJI PHOTO FILM CO., LTD. (JP) 1993-07-13 US disclosed
US-5206105-A Inorganic photosensitive substance and a binder resin FUJI PHOTO FILM CO., LTD. (JP) 1993-04-27 US disclosed
US-5202208-A Block copolymer binder containing acidic monomer; stability, water and heat resistant FUJI PHOTO FILM CO., LTD. (JP) 1993-04-13 US disclosed
US-5188917-A Crosslinked block polymer FUJI PHOTO FILM CO., LTD. (JP) 1993-02-23 US disclosed
US-5147752-A Crosslinked binder FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed
US-5116907-A Blend of styrene and N-substituted methacrylamide copolymer BASF AKTIENGESELLSCHAFT (DE) 1992-05-26 US disclosed
EP-0432727-A2 Electrophotographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1991-06-19 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 (4 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-20140163039-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C GAA 3237/4885PLK1 2047/4885BRD4 47/4885
US-20130158044-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS GRIN2C, TPH1, HTR2C GAA 3237/4885PLK1 2047/4885BRD4 47/4885
US-20210113556-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C GAA 3237/4885PLK1 2047/4885BRD4 47/4885
US-20190321359-A1 Piperazine-Substituted Benzothiophenes For Treatment of Mental Disorders GRIN2C, TPH1, HTR2C GAA 3237/4885PLK1 2047/4885BRD4 47/4885

“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.