SCHEMBL4914812

SCHEMBL4914812

COc1ccc2nc(NC(=O)c3sccc3C)sc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
SENP8 Q96LD8 4/20 0.57
SENP7 Q9BQF6 4/20 0.57
SENP6 Q9GZR1 4/20 0.57
RAB9A P51151 11/20 0.56
NPC1 O15118 10/20 0.55
POLB P06746 1/20 0.55
PPARG P37231 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
RORC P51449 1/20 0.51
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 4/20 0.44
PTK2B Q14289 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44

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
SCHEMBL4910850 0.87 CASP3 (0.58) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL4923647 0.80 RAB9A (0.64) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL4914811 0.80 SCD (0.66) RAB9ANPC1PPARGNCOR2SMN1; SMN2
SCHEMBL4921043 0.80 ALDH1A1 (0.55) RAB9ANPC1PPARGNCOR2MAPT
SCHEMBL4919063 0.79 CASP3 (0.73) CASP3SENP8SENP7SENP6RAB9A
SCHEMBL4915134 0.78 SCD (0.61) RAB9ANPC1PPARGNCOR2MAPT
SCHEMBL4918031 0.76 NPC1 (0.63) RAB9ANPC1POLBPPARGNCOR2
SCHEMBL4917530 0.76 KMT2A (0.57) RAB9ANPC1PPARGNCOR2MAPT
SCHEMBL4917961 0.75 ALDH1A1 (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL2655153 0.75 RAB9A (0.56) RAB9ANPC1POLBMAPTSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US claimed
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
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 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 CASP3 2997/4885SENP8 492/4885SENP7 293/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 CASP3 3241/4885SENP8 961/4885SENP7 219/4885

“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.