SCHEMBL999671

SCHEMBL999671

COC(=O)c1cc2ccc(N)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
CHRNA7 P36544 2/20 0.47
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 1/20 0.46
CA2 P00918 1/20 0.45
PTPN2 P17706 1/20 0.45
HTR3A P46098 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
SCHEMBL100069 0.87 MAPT (0.52) HDAC1ALDH1A1HPGDCHRNA7GAA
SCHEMBL2822973 0.83 PTPN2 (0.49) HDAC1ALDH1A1HPGDCHRNA7HDAC3
SCHEMBL1090344 0.83 BCL2L1 (0.59) HDAC1ALDH1A1HPGDCHRNA7HDAC3
SCHEMBL31207822 0.82 HDAC1 (0.57) HDAC1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL3747465 0.82 HDAC1 (0.57) HDAC1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL1886145 0.82 HDAC1 (0.80) HDAC1ALDH1A1HPGDHDAC3HDAC4
SCHEMBL31207866 0.82 HDAC1 (0.69) HDAC1ALDH1A1HPGDCHRNA7HDAC3
SCHEMBL2250510 0.82 HDAC1 (0.69) HDAC1ALDH1A1HPGDCHRNA7HDAC3
SCHEMBL497904 0.81 HDAC1 (0.60) HDAC1ALDH1A1HPGDCHRNA7HDAC3
SCHEMBL1397715 0.81 HDAC1 (0.56) HDAC1ALDH1A1HPGDCHRNA7HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115833-A1 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES WITH CARBAMATE, UREA, AMIDE AND SULFONAMIDE SUBSTITUTIONS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006115833-A1 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES WITH CARBAMATE, UREA, AMIDE AND SULFONAMIDE SUBSTITUTIONS MERCK & CO., INC. (US) 2006-11-02 WO disclosed
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO disclosed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP disclosed
WO-2005066151-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2005-07-21 WO disclosed
US-20050137234-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 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-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HDAC1 1669/4885ALDH1A1 2693/4885HPGD 1705/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A HDAC1 144/4885ALDH1A1 1646/4885HPGD 785/4885
US-20050137234-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 HDAC1 1/4885ALDH1A1 1731/4885HPGD 2083/4885

“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.