SCHEMBL974859

SCHEMBL974859

O=C(O)c1sc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.84
DBF4 Q9UBU7 5/20 0.84
SMN1; SMN2 Q16637 2/20 0.67
CCNE1 P24864 1/20 0.65
CDK2 P24941 1/20 0.65
PTGDR2 Q9Y5Y4 5/20 0.58
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.58
RARA P10276 1/20 0.58
RARB P10826 1/20 0.58
RARG P13631 1/20 0.58
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 2/20 0.51
RAB9A P51151 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
KMT2A Q03164 1/20 0.50

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
SCHEMBL16113884 0.92 CDC7 (1.00) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL4485015 0.91 CDC7 (0.71) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL4740819 0.86 CDC7 (0.85) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL3056066 0.86 CDC7 (0.65) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL15716809 0.85 CDC7 (0.63) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL975727 0.83 CDC7 (0.86) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL8823109 0.82 CDC7 (0.61) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL16039727 0.82 KDM4E (0.68) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL27920107 0.82 KDM4E (0.67) CDC7DBF4SMN1; SMN2CCNE1CDK2
SCHEMBL8823093 0.82 SMN1; SMN2 (0.63) CDC7DBF4SMN1; SMN2CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US claimed
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-09-18 US claimed
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN claimed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-9850218-B2 Thiazole compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2017-12-26 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC Foundation for Research Development (10 pp.) 2016-05-12 US disclosed
CN-103333134-B 2-(3-cyano group-4-alkoxyl group) phenyl-4-substituted thiazole-5-formic acid compound, composition and method of making the same and purposes SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-02-24 CN disclosed
WO-2014160197-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2014-10-02 WO disclosed
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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 (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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 CDC7 3776/4885DBF4 1455/4885SMN1; SMN2 3624/4885
US-20140275178-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS TTR, PPARG, PPARD CDC7 3287/4885DBF4 3834/4885SMN1; SMN2 22/4885
US-20160130241-A1 THIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS TTR, PPARG, PPARD CDC7 3287/4885DBF4 3834/4885SMN1; SMN2 22/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 CDC7 2663/4885DBF4 1700/4885SMN1; SMN2 4473/4885

“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.