SCHEMBL5731572

SCHEMBL5731572

CCc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.65
▸ NPC1 O15118 6/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.59
▸ HTT P42858 2/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ NFKB2 Q00653 1/20 0.59
▸ RELA Q04206 1/20 0.59
▸ TRPV1 Q8NER1 2/20 0.55
▸ MMP13 P45452 1/20 0.55
▸ TOP1 P11387 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TP53 P04637 1/20 0.51

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
SCHEMBL4917979 0.92 SCD (0.63) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4916806 0.89 SCD (0.59) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2754049 0.89 NPC1 (0.72) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4918412 0.82 SMN1; SMN2 (0.53) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2753278 0.82 NPC1 (0.69) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL26606464 0.81 SCD (0.65) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6687151 0.80 SCD (1.00) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2753849 0.80 NPC1 (0.66) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14082997 0.79 RAB9A (0.57) SCDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8101770 0.78 NPC1 (0.61) SCDNPC1RAB9ASMN1; SMN2MEN1

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
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-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 SCD 3790/4885NPC1 1713/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SCD 3956/4885NPC1 3462/4885RAB9A 3771/4885

“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.

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