SCHEMBL4401622

SCHEMBL4401622

Cc1cccc(-n2c(-c3sc(Nc4ccc(Cl)cc4)nc3C)nc3ccccc3c2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 7/20 0.82
NFKB1 P19838 4/20 0.82
NFKB2 Q00653 4/20 0.82
RELA Q04206 4/20 0.82
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PLA2G1B P04054 1/20 0.53
HPGD P15428 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
POLB P06746 3/20 0.48
PSMD14 O00487 1/20 0.48
NPC1 O15118 1/20 0.48
MMP2 P08253 1/20 0.48
PTPN7 P35236 1/20 0.48
PPARG P37231 1/20 0.48
RAB9A P51151 1/20 0.48
DUSP3 P51452 1/20 0.48

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
SCHEMBL4397908 0.93 JUN (0.70) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4392963 0.92 JUN (0.96) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4398513 0.90 JUN (1.00) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4397868 0.90 JUN (0.78) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4398122 0.90 JUN (0.81) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4393577 0.90 JUN (0.94) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4398430 0.90 JUN (0.94) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4397939 0.88 JUN (0.96) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4391571 0.85 JUN (0.72) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4392950 0.85 JUN (0.82) JUNNFKB1NFKB2RELASMN1; SMN2

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 5 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

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 JUN 2228/4885NFKB1 1188/4885NFKB2 1441/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB JUN 2228/4885NFKB1 1188/4885NFKB2 1441/4885

“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.