SCHEMBL4398338

SCHEMBL4398338

CC(=O)Nc1ccc(-c2cc(C(=O)c3ccc(Cl)cc3)sc2N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
CHRNA7 P36544 3/20 0.56
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
MTOR P42345 2/20 0.47
CHRNA1 P02708 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
SCHEMBL4396020 1.00 NPSR1 (0.59) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4398325 0.95 CHRNA7 (0.60) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4394200 0.91 CHRNA7 (0.67) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4402473 0.90 CHRNA7 (0.66) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4391539 0.90 CHRNA7 (0.64) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4396088 0.90 NPSR1 (0.70) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4397231 0.89 CHRNA7 (0.54) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4395468 0.89 CHRNA7 (0.54) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4403026 0.88 CHRNA7 (0.56) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1
SCHEMBL4400097 0.88 CHRNA7 (0.56) NPSR1L3MBTL1CHRNA7HSD17B10ALDH1A1

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 7 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
EP-2007393-A2 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) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 WO 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 NPSR1 3889/4885L3MBTL1 2304/4885CHRNA7 4808/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB NPSR1 3889/4885L3MBTL1 2304/4885CHRNA7 4808/4885

“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.