SCHEMBL4923647

SCHEMBL4923647

COc1ccc2nc(NC(=O)c3cccs3)sc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.64
NPC1 O15118 13/20 0.64
KDM4E B2RXH2 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
HSD17B10 Q99714 4/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
TP53 P04637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CASP3 P42574 3/20 0.57
SENP8 Q96LD8 3/20 0.57
SENP7 Q9BQF6 3/20 0.57
SENP6 Q9GZR1 3/20 0.57
HPGD P15428 6/20 0.57
HCRTR1 O43613 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 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
SCHEMBL4915134 0.81 SCD (0.61) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4914812 0.80 CASP3 (0.57) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4910850 0.79 CASP3 (0.58) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4917961 0.79 ALDH1A1 (0.54) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4914811 0.78 SCD (0.66) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4921043 0.78 ALDH1A1 (0.55) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4917870 0.78 SCD (0.50) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4914385 0.78 NPC1 (1.00) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL16554024 0.78 SCD (0.64) RAB9ANPC1KDM4ESMN1; SMN2MEN1
SCHEMBL4914109 0.78 NPC1 (0.64) RAB9ANPC1KDM4ESMN1; SMN2MEN1

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 RAB9A 3792/4885NPC1 1713/4885KDM4E 318/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885KDM4E 391/4885

“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.