SCHEMBL4912185

SCHEMBL4912185

COC(=O)c1ccc(C(=O)Nc2nc3ccc(N)cc3s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.73
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
HTT P42858 1/20 0.70
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
KDM4E B2RXH2 3/20 0.68
RXFP1 Q9HBX9 3/20 0.68
ALDH1A1 P00352 2/20 0.68
ATM Q13315 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
PIK3CA P42336 1/20 0.64
PIK3CB P42338 1/20 0.64
PIK3CG P48736 1/20 0.64
PI4KB Q9UBF8 1/20 0.64
HSP90AA1 P07900 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
MAP3K5 Q99683 1/20 0.56

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
SCHEMBL16562065 0.90 MEN1 (0.71) SCDMEN1KMT2AHTTNPC1
SCHEMBL31219331 0.89 SCD (0.87) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL22130146 0.89 SCD (0.87) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL7127611 0.88 NPC1 (0.71) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL16554101 0.86 HTT (0.71) SCDMEN1KMT2AHTTNPC1
SCHEMBL16562169 0.86 NPC1 (0.73) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL4919654 0.85 SCD (0.88) SCDMEN1KMT2AHTTNPC1
SCHEMBL21568214 0.85 NPC1 (0.71) SCDMEN1KMT2AHTTNPC1
SCHEMBL4255595 0.85 KDM4E (0.73) SCDMEN1KMT2AHTTNPC1
SCHEMBL2190326 0.85 LRRK2 (0.72) SCDMEN1KMT2AHTTNPC1

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-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-9789096-B2 Methods and compositions for selective and targeted cancer therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-17 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 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
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 (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 SCD 3790/4885MEN1 3866/4885KMT2A 1419/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885MEN1 4194/4885KMT2A 1591/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 SCD 4/4885MEN1 4719/4885KMT2A 1976/4885

“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.