SCHEMBL4920974

SCHEMBL4920974

COc1ccc2nc(NC(=O)c3ccc(OC(C)=O)cc3)sc2c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.84
NPC1 O15118 4/20 0.84
RAB9A P51151 4/20 0.84
MEN1 O00255 3/20 0.84
KMT2A Q03164 3/20 0.84
SMN1; SMN2 Q16637 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C19 P33261 1/20 0.70
HTT P42858 1/20 0.70
DYRK1A Q13627 1/20 0.70
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 1/20 0.68
HSD17B10 Q99714 1/20 0.68

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
SCHEMBL31243 0.92 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4920310 0.91 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554145 0.88 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4919654 0.88 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4913650 0.88 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL2753553 0.88 SCD (0.93) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16681363 0.88 SCD (0.88) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16554160 0.87 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4910697 0.87 SCD (0.82) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL12199354 0.87 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A

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 3790/4885NPC1 1713/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885NPC1 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.