SCHEMBL4393330

SCHEMBL4393330

CSc1ccc(-c2cc(-c3nc4ccccc4c(=O)n3-c3ccccc3C)sc2N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 3/20 0.60
NFKB1 P19838 3/20 0.60
NFKB2 Q00653 3/20 0.60
RELA Q04206 3/20 0.60
ALDH1A1 P00352 6/20 0.44
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
TDO2 P48775 3/20 0.44
IDO2 Q6ZQW0 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRKDC P78527 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
AHR P35869 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL4400432 0.92 JUN (0.66) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4394258 0.91 JUN (0.69) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4395529 0.90 JUN (0.61) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4393408 0.89 JUN (0.74) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4393333 0.89 JUN (0.69) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4398262 0.88 JUN (0.59) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4396108 0.87 JUN (0.62) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4397909 0.86 JUN (0.63) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4394253 0.83 JUN (0.62) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4402986 0.82 JUN (0.60) JUNNFKB1NFKB2RELAALDH1A1

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.