SCHEMBL4397803

SCHEMBL4397803

O=C(CCl)Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.62
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTR7 P34969 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4394311 0.84 PDE10A (0.63) PDE10AALDH1A1SMN1; SMN2HTR7NPC1
SCHEMBL3424745 0.81 PDE10A (0.62) PDE10AALDH1A1SMN1; SMN2HTR7NPC1
SCHEMBL15179081 0.79 NPC1 (0.67) PDE10AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4958242 0.77 LMNA (0.80) PDE10AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4394259 0.76 NPC1 (0.70) ALDH1A1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31542064 0.74 ALDH1A1 (0.61) PDE10AALDH1A1SMN1; SMN2HTR7NPC1
SCHEMBL4391429 0.74 PDE10A (0.57) PDE10AALDH1A1SMN1; SMN2HTR7NPC1
SCHEMBL31542082 0.74 POLB (0.63) PDE10AALDH1A1SMN1; SMN2HTR7NPC1
SCHEMBL11435999 0.73 NPC1 (0.59) PDE10AALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16346179 0.73 NPC1 (0.67) PDE10AALDH1A1SMN1; SMN2NPC1RAB9A

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 PDE10A 3083/4885ALDH1A1 760/4885SMN1; SMN2 4250/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB PDE10A 3083/4885ALDH1A1 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.