SCHEMBL4401463

SCHEMBL4401463

COc1ccccc1-n1c(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)nc2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 2/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.48
TDO2 P48775 2/20 0.46
IDO2 Q6ZQW0 2/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.46
HIF1A Q16665 1/20 0.45
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPT P10636 4/20 0.43

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
SCHEMBL4398570 0.95 JUN (0.70) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4400146 0.94 JUN (0.58) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4391181 0.92 JUN (0.56) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4400432 0.89 JUN (0.66) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4394253 0.87 JUN (0.62) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4393288 0.86 JUN (0.71) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4398552 0.85 JUN (0.66) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4397863 0.85 JUN (0.75) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4393408 0.84 JUN (0.74) JUNNFKB1NFKB2RELAKMT2A
SCHEMBL4400433 0.84 JUN (0.76) JUNNFKB1NFKB2RELAKMT2A

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 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.