SCHEMBL4397899

SCHEMBL4397899

CCN(CC)/C(=N/C(=S)Nc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.51
GAA P10253 3/20 0.47
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.42
ALOX12 P18054 2/20 0.41
MEN1 O00255 1/20 0.41
CCR6 P51684 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL4398265 0.91 NPC1 (0.55) GLACACNA1BAPBA1NPC1RAB9A
SCHEMBL4398428 0.91 NPC1 (0.55) GLACACNA1BAPBA1NPC1RAB9A
SCHEMBL4397239 0.88 RAB9A (0.50) GLACACNA1BAPBA1NPC1RAB9A
SCHEMBL4397161 0.88 RAB9A (0.50) GLACACNA1BAPBA1NPC1RAB9A
SCHEMBL4397162 0.85 NPC1 (0.56) NPC1RAB9AGAAMAPTSMN1; SMN2
SCHEMBL4396060 0.82 CCR6 (0.51) NPC1RAB9APOLBGAAMAPT
SCHEMBL4393306 0.81 GLA (0.50) GLACACNA1BAPBA1NPC1RAB9A
SCHEMBL4402576 0.80 POLB (0.47) NPC1RAB9AHPGDPOLBGAA
SCHEMBL4402572 0.80 POLB (0.47) NPC1RAB9AHPGDPOLBGAA
SCHEMBL4395390 0.80 ALDH1A1 (0.51) GLACACNA1BAPBA1NPC1RAB9A

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 GLA 2937/4885CACNA1B 4751/4885APBA1 3654/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB GLA 2937/4885CACNA1B 4751/4885APBA1 3654/4885

“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.