SCHEMBL4915134

SCHEMBL4915134

COc1ccc2nc(NC(=O)c3ccccc3)sc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.61
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HCRTR1 O43613 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.52
LRRK2 Q5S007 1/20 0.52
TP53 P04637 1/20 0.52
DHODH Q02127 1/20 0.51
HTT P42858 1/20 0.51
PPARG P37231 1/20 0.50
PTK2B Q14289 1/20 0.50

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
SCHEMBL16554024 0.95 SCD (0.64) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4921043 0.89 ALDH1A1 (0.55) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4914811 0.89 SCD (0.66) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4917530 0.88 KMT2A (0.57) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4918031 0.88 NPC1 (0.63) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4917576 0.86 SCD (0.54) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL4913987 0.86 MEN1 (0.57) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL4917870 0.85 SCD (0.50) SCDMEN1KMT2ARXFP1NPC1
SCHEMBL4918628 0.85 ALDH1A1 (0.51) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL14294575 0.85 SCD (0.50) SCDMEN1KMT2ARXFP1NPC1

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 9 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
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 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

“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.