SCHEMBL4916732

SCHEMBL4916732

COc1ccc(Cl)cc1C(=O)Nc1nc2ccccc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.74
RAB9A P51151 5/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
PKM P14618 1/20 0.74
PAX8 Q06710 1/20 0.74
KDM4E B2RXH2 7/20 0.71
NPSR1 Q6W5P4 3/20 0.71
GAA P10253 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
DHODH Q02127 2/20 0.69
KLF5 Q13887 2/20 0.67
HTT P42858 1/20 0.67
DCLK1 O15075 1/20 0.64
FES P07332 1/20 0.64
PIM1 P11309 1/20 0.64
CDK2 P24941 1/20 0.64
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
IRAK1 P51617 1/20 0.64
MAP4K2 Q12851 1/20 0.64

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
SCHEMBL17770554 0.86 MAPT (0.77) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL6766057 0.86 NPC1 (1.00) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL1353347 0.84 KDM4E (0.74) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL19566127 0.84 KDM4E (0.60) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL17770342 0.83 DHODH (0.76) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL12980644 0.83 SMN1; SMN2 (0.64) NPC1RAB9AKDM4ERXFP1ALDH1A1
SCHEMBL17770410 0.83 KDM4E (0.69) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL17770327 0.83 KDM4E (0.69) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL17770434 0.83 KDM4E (0.58) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL4911825 0.82 DHODH (1.00) NPC1RAB9AL3MBTL1PKMPAX8

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680431-A1 BENZOTHIAZOLE AND THIAZOLE'5,5-B!PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-07-19 EP claimed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US claimed
WO-2005037845-A1 BENZOTHIAZOLE AND THIAZOLE[5,5-B] PYRIDINE COMPOSITIONS AND THEIR USE AS UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-04-28 WO claimed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
EP-3220904-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Rutgers, the State University of New Jersey (US) 2017-09-27 EP disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 WO disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 WO disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-06-16 US 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 (3 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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 NPC1 1713/4885RAB9A 3792/4885L3MBTL1 2479/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885L3MBTL1 2137/4885
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER HADHA, HADHB, TFAM NPC1 2642/4885RAB9A 2841/4885L3MBTL1 2154/4885

“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.