SCHEMBL168291

SCHEMBL168291

O=C(Cl)c1csc(-c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
HDAC1 Q13547 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
TLR7 Q9NYK1 1/20 0.61
MAPT P10636 3/20 0.60
ATM Q13315 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
HPGDS O60760 2/20 0.57
HPGD P15428 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL4735788 0.86 HPGD (0.64) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL352152 0.85 HPGDS (0.73) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL27768678 0.85 HDAC1 (0.70) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL6821162 0.84 RAB9A (0.68) TDP1HDAC1HDAC8HDAC6TLR7
Hydrochloric Acid SCHEMBL6821751 0.84 HPGDS (0.71) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL6201061 0.83 ALDH1A1 (0.73) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL3057919 0.82 TLR7 (0.64) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL4734401 0.82 HDAC6 (0.70) HDAC6TLR7MAPTATMALDH1A1
SCHEMBL1574742 0.82 HDAC1 (0.66) TDP1HDAC1HDAC8HDAC6TLR7
SCHEMBL168519 0.82 HTR2B (0.66) TDP1HDAC1HDAC8HDAC6TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274341-B1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2022-11-02 EP disclosed
CN-107531686-B Inhibitors of pseudomonas aeruginosa LecB 亥姆霍兹感染研究中心有限责任公司 2021-07-09 CN disclosed
US-10654802-B2 Indoline derivatives and method for using and producing the same ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSIT (US) 2020-05-19 US disclosed
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-10407398-B2 Inhibitors of Pseudomonas aeruginosa LecB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-09-10 US disclosed
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNVERSITY OF ARIZONA 2019-05-09 US disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
US-20180155310-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2018-06-07 US disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2007-11-15 US disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
CN-1886376-A Pyridine compounds as dipeptidyl dipeptidase-IV inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-12-27 CN disclosed
US-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 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 (10 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 TDP1 2778/4885HDAC1 1369/4885HDAC8 2488/4885
US-20070265451-A1 Process for the preparation of oxazolidinones and method of use thereof OXA1L, OTC, ODC1 TDP1 4316/4885HDAC1 2645/4885HDAC8 2551/4885
US-10654802-B2 Indoline derivatives and method for using and producing the same IDO1, IDO2, MMP1 TDP1 1931/4885HDAC1 331/4885HDAC8 1771/4885
US-20180155310-A1 INHIBITORS OF PSEUDOMONAS AERUGINOSA LECB FUCA1, ALG1, FUCA2 TDP1 4479/4885HDAC1 2266/4885HDAC8 2604/4885
US-20190135746-A1 INDOLINE DERIVATIVES AND METHOD FOR USING AND PRODUCING THE SAME IDO1, INMT, MMP1 TDP1 2216/4885HDAC1 488/4885HDAC8 1498/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN TDP1 333/4885HDAC1 2284/4885HDAC8 1575/4885
US-10407398-B2 Inhibitors of Pseudomonas aeruginosa LecB FUCA1, ALG1, FUCA2 TDP1 4479/4885HDAC1 2266/4885HDAC8 2604/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN TDP1 334/4885HDAC1 2216/4885HDAC8 1584/4885
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD TDP1 3274/4885HDAC1 356/4885HDAC8 1938/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL TDP1 2355/4885HDAC1 1001/4885HDAC8 1966/4885

“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.