SCHEMBL7519644

SCHEMBL7519644

CCCCN1C(=O)c2ccc(Br)cc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
KDM4E B2RXH2 4/20 0.49
CHRM2 P08172 1/20 0.46
CNR1 P21554 1/20 0.46
MAPK1 P28482 5/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
USP2 O75604 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL8658770 0.95 ALDH1A1 (0.62) ALDH1A1KDM4ECHRM2CNR1MAPK1
SCHEMBL145135 0.94 ALDH1A1 (0.60) ALDH1A1KDM4ECHRM2CNR1MAPK1
SCHEMBL12979075 0.94 ALDH1A1 (0.60) ALDH1A1KDM4ECHRM2CNR1MAPK1
SCHEMBL9810842 0.90 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AESR1
SCHEMBL8619433 0.83 KDM4E (0.53) ALDH1A1KDM4ECHRM2MAPK1MEN1
SCHEMBL17946339 0.83 KDM4E (0.70) ALDH1A1KDM4ECHRM2MAPK1MEN1
SCHEMBL8502643 0.83 KDM4E (0.70) ALDH1A1KDM4ECHRM2MAPK1MEN1
SCHEMBL17622161 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ECHRM2CNR1MAPK1
SCHEMBL28962110 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CNR1MAPK1
SCHEMBL585483 0.82 POLB (0.57) ALDH1A1KDM4EMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117645-B Method for preparing polyaryl imide and production device thereof 北京鼎益新材科技有限公司 2020-08-14 CN disclosed
CN-110418819-A Thermoplastic polyester resin composition and molded product TORAY INDUSTRIES 2019-11-05 CN disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-6432958-B1 FOR THERAPY AND PROPHYLAXIS OF NEUROPSYCHOLOGICAL DISORDERS SUCH AS SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, MOTOR DISORDERS AND MOTION DISORDERS RELATED TO USE OF NEUROLEPTIC AGENT NEUROGEN CORPORATION 2002-08-13 US disclosed
US-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-05-16 US disclosed
CN-1325397-A 2-piperazino alkylatnino benzoazole derivatives: dopamine receptor subtype sepcific ligands NEUROGEN CORP (US) 2001-12-05 CN disclosed
US-6284759-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS NEUROGEN CORPORATION 2001-09-04 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
WO-2000018767-A9 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORP (US) 2001-04-19 WO disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO disclosed
CN-1223659-A Fused imidazopyridine derivatives as antihyperlipidemic agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
US-5132423-A Nucleophilic substitution reaction of alkali hydroxy- or mercaptoaromatic compound and heterocyclic substituted imide GENERAL ELECTRIC COMPANY (US) 1992-07-21 US disclosed
US-5116975-A Bis(guanidinium)alkane salts as phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1992-05-26 US disclosed
US-5081298-A Bis(pentaalkylguanidinium) alkane salts as phase transfer catalysts GENERAL ELECTRIC COMPANY (US) 1992-01-14 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 (1 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-20020058666-A1 2-piperazinoalkylaminobenzoazole derivatives: dopamine receptor subtype specific ligands CHRNA7, HTR7, OPRD1 ALDH1A1 1077/4885KDM4E 4376/4885CHRM2 135/4885

“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.