SCHEMBL4395519

SCHEMBL4395519

Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1sc(Nc2ccc(Cl)cc2)nc1C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 4/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
ADORA3 P0DMS8 3/20 0.58
ADORA2A P29274 3/20 0.58
ADORA1 P30542 3/20 0.58
DHODH Q02127 5/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL4923649 0.90 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL8343595 0.87 NPC1 (0.75) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL4400357 0.84 RAB9A (0.86) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL4395567 0.77 ADORA2B (0.71) ALDH1A1MAPTPOLBSMN1; SMN2ADORA3
SCHEMBL27971173 0.77 SMN1; SMN2 (0.97) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL27706868 0.77 SMN1; SMN2 (0.76) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL29101533 0.77 SMN1; SMN2 (0.81) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL20142148 0.76 GSK3A (0.73) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4395265 0.76 GSK3A (0.73) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4398263 0.75 CDK5 (0.72) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 NPC1 3673/4885RAB9A 3231/4885ALDH1A1 760/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB NPC1 3673/4885RAB9A 3231/4885ALDH1A1 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.