SCHEMBL4923573

SCHEMBL4923573

COc1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.79
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
RAB9A P51151 8/20 0.72
NPC1 O15118 7/20 0.72
POLB P06746 2/20 0.72
TP53 P04637 1/20 0.71
ALDH1A1 P00352 2/20 0.66
MAPT P10636 2/20 0.66
LMNA P02545 1/20 0.66
DHODH Q02127 1/20 0.64
CASP3 P42574 1/20 0.63
SENP8 Q96LD8 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
SENP6 Q9GZR1 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63

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
SCHEMBL4921041 0.89 SCD (1.00) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL31065 0.87 SCD (1.00) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL23926499 0.86 SCD (0.88) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL2196699 0.85 MAPT (0.66) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL4919127 0.84 SCD (1.00) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL16562255 0.84 SCD (0.76) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL1217415 0.84 SCD (0.76) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL4915903 0.84 SCD (0.76) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL4920749 0.84 SCD (0.76) SCDMEN1KMT2ARAB9ANPC1
SCHEMBL4912951 0.84 SCD (1.00) SCDMEN1KMT2ARAB9ANPC1

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 SCD 3790/4885MEN1 3866/4885KMT2A 1419/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885MEN1 4194/4885KMT2A 1591/4885

“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.