SCHEMBL4921065

SCHEMBL4921065

COc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.89
LMNA P02545 4/20 0.83
MAPT P10636 5/20 0.81
TP53 P04637 2/20 0.78
RXFP1 Q9HBX9 4/20 0.74
SCD O00767 4/20 0.71
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
ALDH1A1 P00352 5/20 0.69
KDM4E B2RXH2 3/20 0.69
GAA P10253 2/20 0.69
HTT P42858 2/20 0.69
USP2 O75604 2/20 0.69
HPGD P15428 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CLK1 P49759 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX15 P16050 1/20 0.69

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 0.83 SCD (1.00) RXFP1SCDMEN1KMT2ANPC1
SCHEMBL16554265 0.83 SCD (1.00) POLBLMNAMAPTSCDMEN1
SCHEMBL6401252 0.83 RXFP1 (0.69) POLBLMNAMAPTTP53RXFP1
SCHEMBL664543 0.82 MAPT (0.80) POLBLMNAMAPTTP53RXFP1
SCHEMBL17251817 0.82 TP53 (0.75) POLBLMNAMAPTTP53RXFP1
SCHEMBL21376344 0.81 LMNA (0.64) POLBLMNAMAPTTP53RXFP1
SCHEMBL17251835 0.81 ALDH1A1 (0.74) POLBLMNAMAPTTP53RXFP1
SCHEMBL666352 0.80 MAPT (0.65) POLBLMNAMAPTTP53RXFP1
SCHEMBL16554145 0.80 SCD (0.88) SCDMEN1KMT2ANPC1RAB9A
SCHEMBL4920310 0.80 SCD (0.88) MAPTSCDMEN1KMT2ANPC1

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
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 POLB 2057/4885LMNA 3900/4885MAPT 426/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 POLB 2248/4885LMNA 3527/4885MAPT 1955/4885

“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.