SCHEMBL4913987

SCHEMBL4913987

COc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GRM5 P41594 2/20 0.55
GCK P35557 1/20 0.55
SCD O00767 3/20 0.54
MAPT P10636 3/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
DHODH Q02127 1/20 0.51
STAT3 P40763 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
PIK3CA P42336 1/20 0.47
SMO Q99835 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL4917576 0.87 SCD (0.54) MEN1KMT2AGCKSCDMAPT
SCHEMBL4917530 0.86 KMT2A (0.57) MEN1KMT2ASCDMAPTTP53
SCHEMBL4915134 0.86 SCD (0.61) MEN1KMT2ASCDMAPTTP53
SCHEMBL4920216 0.83 NPC1 (0.54) MEN1KMT2ASCDMAPTNPC1
SCHEMBL4918450 0.82 DHODH (0.58) MEN1KMT2AMAPTLMNANPC1
SCHEMBL16554024 0.82 SCD (0.64) MEN1KMT2ASCDMAPTNPC1
SCHEMBL4921043 0.80 ALDH1A1 (0.55) MEN1KMT2ASCDMAPTTP53
SCHEMBL4914811 0.80 SCD (0.66) MEN1KMT2ASCDTP53NPC1
SCHEMBL14808176 0.80 SCD (0.83) MEN1KMT2ASCDNPC1RAB9A
SCHEMBL4918031 0.79 NPC1 (0.63) MEN1KMT2ASCDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US claimed
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
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 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 MEN1 3866/4885KMT2A 1419/4885GRM5 3700/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 MEN1 4194/4885KMT2A 1591/4885GRM5 2694/4885

“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.