SCHEMBL4397909

SCHEMBL4397909

CC(=O)Nc1ccc(-c2cc(-c3nc4ccccc4c(=O)n3-c3ccccc3C)sc2N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.63
NFKB1 P19838 3/20 0.63
NFKB2 Q00653 3/20 0.63
RELA Q04206 3/20 0.63
MOK Q9UQ07 3/20 0.53
CHRNA7 P36544 3/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4403005 0.91 JUN (0.72) JUNNFKB1NFKB2RELAMOK
SCHEMBL4400432 0.90 JUN (0.66) JUNNFKB1NFKB2RELACHRNA7
SCHEMBL4400347 0.88 JUN (0.65) JUNNFKB1NFKB2RELAMOK
SCHEMBL4395529 0.87 JUN (0.61) JUNNFKB1NFKB2RELAPRKDC
SCHEMBL4393408 0.86 JUN (0.74) JUNNFKB1NFKB2RELAMAPT
SCHEMBL4393330 0.86 JUN (0.60) JUNNFKB1NFKB2RELAPRKDC
SCHEMBL4398262 0.85 JUN (0.59) JUNNFKB1NFKB2RELAPIK3CA
SCHEMBL4394253 0.80 JUN (0.62) JUNNFKB1NFKB2RELAMAPT
SCHEMBL4402986 0.80 JUN (0.60) JUNNFKB1NFKB2RELAPRKDC
SCHEMBL4401463 0.80 JUN (0.62) JUNNFKB1NFKB2RELAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.