SCHEMBL4919955

SCHEMBL4919955

CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
RECQL P46063 1/20 1.00
KMT2A Q03164 7/20 0.80
MEN1 O00255 6/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
HPGD P15428 1/20 0.80
POLB P06746 2/20 0.78
ALDH1A1 P00352 2/20 0.78
LMNA P02545 1/20 0.78
MAPT P10636 1/20 0.78
HTT P42858 1/20 0.78
ATM Q13315 1/20 0.78
HSD17B10 Q99714 2/20 0.77
RXFP1 Q9HBX9 3/20 0.72
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
GHSR Q92847 1/20 0.63
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL21568038 0.88 KMT2A (1.00) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL30136366 0.85 KDM4E (0.74) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL24104691 0.85 KDM4E (0.74) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL21568043 0.82 KMT2A (0.79) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL1786076 0.81 GHSR (0.80) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL1790479 0.81 GHSR (0.80) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL4918017 0.81 RAB9A (0.79) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL15376878 0.80 ALDH1A1 (0.74) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL350341 0.80 HSD17B10 (0.76) KDM4ERECQLKMT2AMEN1SMN1; SMN2
SCHEMBL4749080 0.80 NPC1 (0.67) KDM4ERECQLKMT2AMEN1SMN1; SMN2

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 6 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
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

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 KDM4E 318/4885RECQL 1468/4885KMT2A 1419/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 KDM4E 391/4885RECQL 2671/4885KMT2A 1591/4885

“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.