SCHEMBL4913615

SCHEMBL4913615

COC(=O)c1cc(C(=O)Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.69
MMP13 P45452 1/20 0.69
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
DHODH Q02127 1/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.57
AHR P35869 1/20 0.57
TOP1 P11387 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 3/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
MAPT P10636 2/20 0.55

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
SCHEMBL16562255 0.83 SCD (0.76) SCDMMP13MEN1KMT2ANPC1
SCHEMBL14294570 0.83 NPC1 (0.60) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL4919533 0.82 SCD (1.00) SCDMMP13MEN1KMT2ANPC1
SCHEMBL16562167 0.81 SCD (0.79) SCDMMP13MEN1KMT2ANPC1
SCHEMBL4919648 0.79 L3MBTL1 (0.76) SCDMMP13MEN1KMT2ANPC1
SCHEMBL13265793 0.77 SCD (0.76) SCDMMP13MEN1KMT2ANPC1
SCHEMBL5732423 0.77 SCD (0.69) SCDMMP13MEN1KMT2ANPC1
SCHEMBL30553321 0.77 SCD (0.84) SCDMMP13MEN1KMT2ANPC1
SCHEMBL4918578 0.77 SCD (0.69) SCDMMP13MEN1KMT2ANPC1
SCHEMBL2187627 0.75 NPC1 (0.80) SCDMMP13MEN1KMT2ANPC1

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 7 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-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 3790/4885MMP13 4094/4885MEN1 3866/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885MMP13 4021/4885MEN1 4194/4885

“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.