SCHEMBL4401662

SCHEMBL4401662

N/C(=N\C(=S)Nc1ccc(Cl)cc1)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 4/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 4/20 0.56
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NT5E P21589 1/20 0.45
MAPT P10636 4/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.40

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
SCHEMBL15740342 0.77 NPC1 (1.00) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL9725073 0.69 ALDH1A1 (0.66) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL11617697 0.69 MAPK1 (1.00) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL5035164 0.69 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL5035161 0.69 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL11922436 0.68 CA1 (0.74) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL11501546 0.68 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1GAAMAPK1
SCHEMBL526059 0.67 MAPT (0.63) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL23411272 0.66 PLG (0.53) RAB9ANPC1ALDH1A1GAAKMT2A
Thiourea SCHEMBL1991944 0.66 MAPT (0.73) RAB9ANPC1ALDH1A1GAALMNA

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