SCHEMBL4397930

SCHEMBL4397930

O=C(c1cccnc1)c1cc(-c2ccc(Cl)cc2)c(N2CCOCC2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
CHRNA7 P36544 3/20 0.45
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
SCN2A Q99250 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44

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
SCHEMBL4395511 0.91 NPSR1 (0.69) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4400319 0.91 ALDH1A1 (0.60) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4395306 0.91 HSD17B10 (0.66) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4393459 0.91 ALDH1A1 (0.62) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4393336 0.88 NPSR1 (0.67) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4403019 0.87 L3MBTL1 (0.72) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4391613 0.87 ALDH1A1 (0.53) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4396088 0.86 NPSR1 (0.70) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4393437 0.86 CHRNA7 (0.55) NPSR1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4393024 0.85 ALDH1A1 (0.70) NPSR1L3MBTL1ALDH1A1LMNAMEN1

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 2304/4885ALDH1A1 760/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB NPSR1 3889/4885L3MBTL1 2304/4885ALDH1A1 760/4885

“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.