SCHEMBL4397954

SCHEMBL4397954

CC(=O)c1ccc(-n2c(-c3cc(-c4ccccc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.92
NFKB1 P19838 1/20 0.92
NFKB2 Q00653 1/20 0.92
RELA Q04206 1/20 0.92
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
CHRNA7 P36544 2/20 0.43
HTR7 P34969 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4393518 0.96 JUN (1.00) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4398465 0.94 JUN (0.85) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4402494 0.92 JUN (0.82) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4400433 0.90 JUN (0.76) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4397863 0.90 JUN (0.75) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4395504 0.88 JUN (0.72) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4393288 0.87 JUN (0.71) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4398623 0.86 JUN (0.72) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4403005 0.86 JUN (0.72) JUNNFKB1NFKB2RELAHSD17B10
SCHEMBL4394232 0.86 JUN (0.82) JUNNFKB1NFKB2RELAHSD17B10

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.