SCHEMBL4393437

SCHEMBL4393437

CC(=O)Nc1ccc(-c2cc(C(=O)c3cccnc3)sc2N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.55
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
PIK3CA P42336 4/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
HSD17B10 Q99714 1/20 0.49
NPSR1 Q6W5P4 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTOR P42345 5/20 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
SCHEMBL4398529 0.92 CHRNA7 (0.55) CHRNA7ALDH1A1SMN1; SMN2TP53PIK3CA
SCHEMBL4400097 0.89 CHRNA7 (0.56) CHRNA7ALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL4402473 0.89 CHRNA7 (0.66) CHRNA7ALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL4398325 0.88 CHRNA7 (0.60) CHRNA7ALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL4403026 0.87 CHRNA7 (0.56) CHRNA7ALDH1A1PIK3CAPIK3CDPIK3CB
SCHEMBL4400319 0.86 ALDH1A1 (0.60) CHRNA7ALDH1A1SMN1; SMN2TP53PIK3CA
SCHEMBL4395306 0.86 HSD17B10 (0.66) CHRNA7ALDH1A1SMN1; SMN2TP53PIK3CA
SCHEMBL4393459 0.86 ALDH1A1 (0.62) CHRNA7ALDH1A1SMN1; SMN2TP53PIK3CA
SCHEMBL4391539 0.86 CHRNA7 (0.64) CHRNA7ALDH1A1SMN1; SMN2PIK3CAPIK3CD
SCHEMBL4397930 0.86 NPSR1 (0.65) CHRNA7ALDH1A1SMN1; SMN2TP53PIK3CA

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 760/4885SMN1; SMN2 4250/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB CHRNA7 4808/4885ALDH1A1 760/4885SMN1; SMN2 4250/4885

“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.