SCHEMBL4920630

SCHEMBL4920630

Cn1cc(Br)c(C(=O)Nc2nc3ccccc3s2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.74
RAB9A P51151 10/20 0.74
SMN1; SMN2 Q16637 6/20 0.74
KDM4E B2RXH2 5/20 0.74
LMNA P02545 3/20 0.59
PKM P14618 2/20 0.59
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
ADORA1 P30542 2/20 0.56
DYRK1A Q13627 1/20 0.56
CASP3 P42574 3/20 0.54
SENP8 Q96LD8 3/20 0.54
SENP7 Q9BQF6 3/20 0.54
SENP6 Q9GZR1 3/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SCD O00767 4/20 0.52
TMIGD3 P0DMS9 1/20 0.52

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
SCHEMBL4917553 0.85 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL26658545 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL2242970 0.77 CNR1 (0.69) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL15798419 0.76 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL24695086 0.74 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL4920257 0.74 NPC1 (0.78) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL23607120 0.73 TOP1 (0.61) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL3053529 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL30576863 0.73 MEN1 (0.71) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL26606525 0.73 MEN1 (0.71) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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 NPC1 1713/4885RAB9A 3792/4885SMN1; SMN2 3684/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885SMN1; SMN2 4114/4885

“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.