SCHEMBL4909146

SCHEMBL4909146

COc1ccccc1C(=O)Nc1nc2c(C)cc(C)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.65
RAB9A P51151 7/20 0.65
PKM P14618 1/20 0.65
PAX8 Q06710 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
RORC P51449 1/20 0.60
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HPGD P15428 3/20 0.58
TP53 P04637 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NCS1 P62166 1/20 0.58
HCRTR1 O43613 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MAPT P10636 2/20 0.57

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
SCHEMBL23657486 0.80 ALDH1A1 (0.69) NPC1RAB9ARORCKDM4EALDH1A1
SCHEMBL24729520 0.80 KDM4E (0.60) NPC1RAB9APKML3MBTL1RORC
SCHEMBL21186172 0.79 NPC1 (0.55) NPC1RAB9ARORCKDM4EALDH1A1
SCHEMBL6766057 0.79 NPC1 (1.00) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL4920242 0.77 RAB9A (0.79) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL24729254 0.76 ALDH1A1 (0.59) NPC1RAB9ARORCKDM4EALDH1A1
SCHEMBL30597533 0.76 NPC1 (0.57) NPC1RAB9APKMRORCKDM4E
SCHEMBL19627233 0.76 MAPT (0.58) NPC1RAB9ARORCKDM4EALDH1A1
SCHEMBL19566127 0.76 KDM4E (0.60) NPC1RAB9APKMPAX8L3MBTL1
SCHEMBL17055842 0.75 RORC (1.00) NPC1RAB9APKMRORCKDM4E

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 8 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-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
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 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-20050130974-A1 Benzothiazole compositions and their use as ubiquitin ligase inhibitors UBQLN1, UBE2T, NEDD4 NPC1 1713/4885RAB9A 3792/4885PKM 2950/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885PKM 2584/4885

“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.