SCHEMBL4394380

SCHEMBL4394380

O=C(Nc1nc(Cc2ccccc2)c(C(=O)c2sc(NC(=O)c3ccco3)nc2Cc2ccccc2)s1)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.61
ADORA1 P30542 8/20 0.61
ADORA3 P0DMS8 7/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPGD P15428 5/20 0.60
ADORA2B P29275 2/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.56
KDM4E B2RXH2 3/20 0.56
PPARG P37231 1/20 0.56
NCOA2 Q15596 1/20 0.56
NCOA1 Q15788 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 2/20 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
SCHEMBL4397796 0.83 SCD (0.44) RAB9ANPC1SMN1; SMN2PKMTDP1
SCHEMBL4398346 0.81 ADORA2A (0.89) ADORA2AADORA1ADORA3RAB9ANPC1
SCHEMBL4397896 0.80 PKM (0.83) ADORA2AADORA1ADORA3RAB9ANPC1
SCHEMBL4401488 0.79 SMN1; SMN2 (0.54) ADORA2AADORA1RAB9ANPC1SMN1; SMN2
SCHEMBL4398547 0.77 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TDP1HPGD
SCHEMBL3587905 0.76 PKM (1.00) ADORA2AADORA1ADORA3RAB9ANPC1
SCHEMBL3587473 0.75 KDM4E (0.81) ADORA2AADORA1ADORA3RAB9ANPC1
SCHEMBL3593166 0.73 SCD (0.55) ADORA3RAB9ANPC1SMN1; SMN2PKM
SCHEMBL3049831 0.73 RAB9A (0.77) RAB9ANPC1SMN1; SMN2PKMTDP1
SCHEMBL4397988 0.72 DHODH (0.52) ADORA2AADORA1ADORA3RAB9ANPC1

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 ADORA2A 2266/4885ADORA1 3601/4885ADORA3 3140/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ADORA2A 2266/4885ADORA1 3601/4885ADORA3 3140/4885

“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.