SCHEMBL4909703

SCHEMBL4909703

Cc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.71
RAB9A P51151 4/20 0.71
MCL1 Q07820 1/20 0.71
KMT2A Q03164 7/20 0.68
MEN1 O00255 6/20 0.68
POLB P06746 3/20 0.68
RXFP1 Q9HBX9 2/20 0.68
DYRK1A Q13627 1/20 0.67
MMP13 P45452 2/20 0.66
SCD O00767 2/20 0.66
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 2/20 0.62
STAT1 P42224 1/20 0.61
HTT P42858 1/20 0.60
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
ACP1 P24666 1/20 0.58

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
SCHEMBL7128296 0.89 NPC1 (0.77) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL15489034 0.89 KMT2A (0.70) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL27397916 0.89 KMT2A (0.70) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL16562175 0.85 NPC1 (0.79) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL23926486 0.84 NPC1 (0.71) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL26034899 0.84 NPC1 (0.77) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL15063079 0.84 MAPT (0.73) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL2187627 0.84 NPC1 (0.80) NPC1RAB9AMCL1KMT2AMEN1
SCHEMBL4917462 0.83 MEN1 (0.73) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL23926499 0.83 SCD (0.88) NPC1RAB9AMCL1KMT2AMEN1

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 3792/4885MCL1 311/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885MCL1 314/4885

“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.