SCHEMBL4909759

SCHEMBL4909759

CCOc1ccc2nc(NC(=O)c3ccc(NC(C)=O)cc3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.77
MAPT P10636 7/20 0.77
TP53 P04637 4/20 0.77
KMT2A Q03164 6/20 0.75
MEN1 O00255 5/20 0.75
ALDH1A1 P00352 4/20 0.75
HPGD P15428 3/20 0.75
KDM4E B2RXH2 3/20 0.75
TDP1 Q9NUW8 2/20 0.75
GAA P10253 1/20 0.75
MAPK1 P28482 2/20 0.70
RECQL P46063 1/20 0.70
NPC1 O15118 10/20 0.67
RAB9A P51151 9/20 0.67
SENP7 Q9BQF6 1/20 0.67
LRRK2 Q5S007 1/20 0.67
POLB P06746 3/20 0.66
USP2 O75604 2/20 0.66
PKM P14618 1/20 0.64
OPRK1 P41145 1/20 0.64

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
SCHEMBL4910697 0.88 SCD (0.82) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL4917536 0.88 SMN1; SMN2 (0.81) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL15376318 0.88 MAPT (0.78) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL4910853 0.87 SMN1; SMN2 (0.80) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL2247099 0.87 MAPT (1.00) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL4910836 0.84 SMN1; SMN2 (0.74) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL4919685 0.83 SMN1; SMN2 (0.73) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL4918089 0.81 NPC1 (0.76) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL16562031 0.81 SCD (0.73) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL7544842 0.81 MAPT (0.68) SMN1; SMN2MAPTTP53KMT2AMEN1

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 SMN1; SMN2 3684/4885MAPT 426/4885TP53 189/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SMN1; SMN2 4114/4885MAPT 1955/4885TP53 530/4885

“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.