SCHEMBL4919277

SCHEMBL4919277

COc1ccc2nc(NC(=O)c3cc4ccccc4[nH]3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG2 P16885 1/20 0.77
SCD O00767 8/20 0.71
NPC1 O15118 8/20 0.67
RAB9A P51151 8/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
DYRK1A Q13627 1/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 2/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
HDAC6 Q9UBN7 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
SCHEMBL17433466 0.84 RAB9A (0.57) PLCG2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4912951 0.83 SCD (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL9670892 0.83 SCD (0.67) PLCG2SCDNPC1RAB9AKMT2A
SCHEMBL31243 0.81 SCD (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4912210 0.80 SCD (0.80) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4917823 0.79 SCD (0.87) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL16554160 0.79 SCD (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL16681363 0.79 SCD (0.88) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4918858 0.78 RAB9A (0.76) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4920242 0.78 RAB9A (0.79) SCDNPC1RAB9AKMT2AMEN1

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 10 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
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 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
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 PLCG2 3279/4885SCD 3790/4885NPC1 1713/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 PLCG2 3077/4885SCD 3956/4885NPC1 3462/4885

“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.