SCHEMBL4917465

SCHEMBL4917465

O=C(Nc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.70
NPC1 O15118 7/20 0.68
RAB9A P51151 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
KDM4E B2RXH2 5/20 0.66
SCD O00767 5/20 0.66
HTT P42858 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
DHODH Q02127 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 1/20 0.62
CASP3 P42574 3/20 0.62
SENP8 Q96LD8 3/20 0.62
SENP7 Q9BQF6 3/20 0.62
SENP6 Q9GZR1 3/20 0.62
MMP13 P45452 1/20 0.60

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
SCHEMBL26606518 0.89 TOP1 (0.66) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL30576828 0.89 TOP1 (0.66) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL19334516 0.87 TOP1 (0.63) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL4910888 0.86 KMT2A (0.71) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL30553332 0.85 NPC1 (0.78) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL24729232 0.85 HSD17B10 (0.82) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4920234 0.84 SCD (0.73) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL14807588 0.84 TOP1 (0.74) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL3053529 0.82 NPC1 (1.00) TOP1NPC1RAB9AMEN1KMT2A
SCHEMBL4914287 0.81 SCD (0.78) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 TOP1 1191/4885NPC1 1713/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 TOP1 1632/4885NPC1 3462/4885RAB9A 3771/4885

“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.