SCHEMBL6990506

SCHEMBL6990506

COc1ccc2onc(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HSD17B10 Q99714 3/20 0.47
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
MAOA P21397 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
SCHEMBL6990724 0.85 BRD4 (0.49) BRD4ALDH1A1KDM4EHPGDMAPT
SCHEMBL19142570 0.81 KDM4E (0.51) BRD4ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29652612 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL4503642 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL6955470 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL2710678 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL28554333 0.78 NPC1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL5985206 0.76 MAPT (0.53) BRD4MAPTNPC1RAB9ATP53
SCHEMBL19141923 0.76 ACHE (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL19141722 0.76 ACHE (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-10-19 US disclosed
EP-3192792-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Vigonvita Life Sciences Co., Ltd. (CN) 2017-07-19 EP disclosed
US-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 US disclosed
US-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia JIANGSU GOWORTH INVESTMENT CO. LTD. (CN) 2011-06-30 US disclosed
EP-2322520-A1 ARALKYL SUBSTITUTED PIPERIDINE OR PIPERAZINE DERIVATIVES AND THEIR USE FOR TREATING SCHIZOPHRENIA Jiangsu Guohua Investment Co., Ltd (CN) 2011-05-18 EP disclosed
EP-0646115-B1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2003-01-22 EP disclosed
US-6498255-B2 CHOLINESTERASE INHIBITORS; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE; E.G., 3-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1,2-BENZISOXAZOLE PFIZER INC. 2002-12-24 US disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
US-20020028834-A1 Heterocyclic-cyclic amine derivatives VILLALOBOS ANABELLA (US) 2002-03-07 US disclosed
US-6326382-B1 CHOLINESTERASE INHIBITORS; USEFUL IN ENHANCING MEMORY IN PATIENTS SUFFERING FROM DEMENTIA AND ALZHEIMER'S DISEASE EISAI CO., LTD (JP) 2001-12-04 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
US-5750542-A Benzisoxazole and benzisothizole derivatives as cholinesterase inhibitors PFIZER (US) 1998-05-12 US disclosed
US-5538984-A Methods of using piperidyl-benzisoxazole and benisothiazole derivatives as cholinesterase inhibitors PFIZER INC. (US) 1996-07-23 US disclosed
EP-0646115-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 1995-04-05 EP disclosed
WO-1992017475-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER INC. (US) 1992-10-15 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-20110160199-A1 Aralkyl Substituted Piperidine or Piperazine Derivatives and Their Use for Treating Schizophrenia REN, GRIK5, CAT BRD4 2355/4885ALDH1A1 506/4885KDM4E 2802/4885
US-20020028834-A1 Heterocyclic-cyclic amine derivatives BCHE, ACHE, CHRM1 BRD4 1076/4885ALDH1A1 1304/4885KDM4E 458/4885
US-20170298080-A1 AMINOSULFONYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF NOTUM, ALDH7A1, HADHB BRD4 3079/4885ALDH1A1 955/4885KDM4E 890/4885

“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.