SCHEMBL4402464

SCHEMBL4402464

O=C(c1sc(Nc2ccccc2)nc1-c1ccccc1)c1sc(Nc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.86
DHODH Q02127 5/20 0.67
ALDH1A1 P00352 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HPGD P15428 2/20 0.64
PPARG P37231 1/20 0.64
NCOA2 Q15596 1/20 0.64
NCOA1 Q15788 1/20 0.64
NCOA3 Q9Y6Q9 1/20 0.64
ALOX5 P09917 1/20 0.64
PTGS2 P35354 1/20 0.64
MAPT P10636 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
PTGDR2 Q9Y5Y4 2/20 0.63
GAA P10253 1/20 0.63
ADORA3 P0DMS8 3/20 0.59
ADORA2A P29274 2/20 0.57
ADORA1 P30542 2/20 0.57

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
SCHEMBL4400080 0.90 ADORA2B (0.71) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL4395567 0.90 ADORA2B (0.71) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL31423856 0.89 ADORA2B (0.74) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL4393456 0.88 DHODH (0.75) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL4398771 0.85 ADORA2B (0.64) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL4395486 0.83 ADORA3 (0.61) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL4393284 0.83 ADORA3 (0.69) ADORA2BALDH1A1MEN1KMT2AKDM4E
SCHEMBL5356543 0.82 ADORA2B (0.65) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL5364912 0.81 KMT2A (0.67) ADORA2BDHODHALDH1A1MEN1KMT2A
SCHEMBL27971291 0.81 DHODH (1.00) DHODHMEN1KMT2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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 (2 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2B 2449/4885DHODH 395/4885ALDH1A1 760/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2B 2449/4885DHODH 395/4885ALDH1A1 760/4885

“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.