SCHEMBL4398311

SCHEMBL4398311

CCN(CC)C(=NC(=S)N(CC)c1cccc(OC)c1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ESR1 P03372 1/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NLRP3 Q96P20 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4401532 0.87 TSHR (0.43) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL4397252 0.78 POLB (0.50) ALDH1A1MAPTL3MBTL1NPC1RAB9A
SCHEMBL4398333 0.77 ALDH1A1 (0.39) ALDH1A1MAPTSLC6A2SLC6A4ESR1
SCHEMBL4397162 0.71 NPC1 (0.56) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL21894115 0.69 MTNR1A (0.55) MTNR1AMTNR1BESR1SMN1; SMN2
SCHEMBL4393201 0.68 KMT2A (0.46) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL28129412 0.67 MTNR1A (0.52) MTNR1AMTNR1BESR1
SCHEMBL10783760 0.67 POLB (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Zinc Ion SCHEMBL11136328 0.67 POLB (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10782619 0.67 POLB (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 ALDH1A1 760/4885MAPT 2854/4885L3MBTL1 2304/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB ALDH1A1 760/4885MAPT 2854/4885L3MBTL1 2304/4885

“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.