SCHEMBL4400097

SCHEMBL4400097

CC(=O)Nc1ccc(-c2cc(C(=O)c3ccncc3)sc2N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.56
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
PIK3CA P42336 5/20 0.47
PIK3CG P48736 3/20 0.47
PIK3CD O00329 2/20 0.47
BRD4 O60885 1/20 0.47
CHRNA1 P02708 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR3A P46098 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 3/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4403026 0.96 CHRNA7 (0.56) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4398325 0.93 CHRNA7 (0.60) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4402473 0.90 CHRNA7 (0.66) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4391539 0.90 CHRNA7 (0.64) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4394200 0.89 CHRNA7 (0.67) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4393437 0.89 CHRNA7 (0.55) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4396020 0.88 NPSR1 (0.59) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4398338 0.88 NPSR1 (0.59) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4398529 0.88 CHRNA7 (0.55) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1
SCHEMBL4393623 0.88 ALDH1A1 (0.64) CHRNA7ALDH1A1HSD17B10NPSR1L3MBTL1

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 CHRNA7 4808/4885ALDH1A1 760/4885HSD17B10 3036/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CHRNA7 4808/4885ALDH1A1 760/4885HSD17B10 3036/4885

“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.