SCHEMBL4919617

SCHEMBL4919617

Cc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.65
KMT2A Q03164 9/20 0.65
POLB P06746 3/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
ALOX15 P16050 2/20 0.65
USP2 O75604 1/20 0.65
MCL1 Q07820 1/20 0.65
ESR2 Q92731 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
MAPT P10636 7/20 0.62
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 5/20 0.61
HPGD P15428 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
RXFP1 Q9HBX9 3/20 0.58
GAA P10253 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 6/20 0.58

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
SCHEMBL4920382 0.87 MAPT (0.65) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL5713545 0.85 MAPT (0.67) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL2754063 0.85 MEN1 (0.60) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL5334253 0.84 KDM4E (0.70) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL12021634 0.81 MAPT (0.58) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL21821838 0.81 MAPT (0.76) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL2753869 0.80 KMT2A (0.70) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL10281940 0.80 MAPT (0.62) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL13723979 0.79 MAPT (0.74) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL18360552 0.79 KDM4E (0.53) MEN1KMT2APOLBL3MBTL1ALOX15

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 MEN1 3866/4885KMT2A 1419/4885POLB 2057/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 MEN1 4194/4885KMT2A 1591/4885POLB 2248/4885

“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.