SCHEMBL4917536

SCHEMBL4917536

CCOc1ccc2nc(NC(=O)c3ccc(C)cc3)sc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.81
MAPT P10636 7/20 0.81
TP53 P04637 5/20 0.81
NPC1 O15118 10/20 0.70
RAB9A P51151 10/20 0.70
LRRK2 Q5S007 1/20 0.70
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 5/20 0.68
PKM P14618 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
OPRK1 P41145 1/20 0.68
MEN1 O00255 5/20 0.67
HSD17B10 Q99714 3/20 0.67
KDM4E B2RXH2 3/20 0.67
USP2 O75604 3/20 0.67
SCD O00767 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
ALOX15 P16050 2/20 0.67
HSP90AA1 P07900 1/20 0.67

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
SCHEMBL4910853 0.90 SMN1; SMN2 (0.80) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL2247099 0.90 MAPT (1.00) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL4910836 0.89 SMN1; SMN2 (0.74) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL4909759 0.88 SMN1; SMN2 (0.77) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL25720762 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL4913650 0.87 SCD (0.88) SMN1; SMN2MAPTNPC1RAB9AKMT2A
SCHEMBL12199451 0.86 SMN1; SMN2 (0.62) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL4919685 0.86 SMN1; SMN2 (0.73) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL27093200 0.85 MAPT (0.82) SMN1; SMN2MAPTTP53NPC1RAB9A
Bromide SCHEMBL2482099 0.85 SMN1; SMN2 (0.61) SMN1; SMN2MAPTTP53NPC1RAB9A

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 SMN1; SMN2 3684/4885MAPT 426/4885TP53 189/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SMN1; SMN2 4114/4885MAPT 1955/4885TP53 530/4885

“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.