SCHEMBL4909180

SCHEMBL4909180

CCCCCCCC(=O)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.64
▸ RAB9A P51151 8/20 0.64
▸ KMT2A Q03164 6/20 0.64
▸ SCD O00767 6/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ MAPT P10636 4/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ KDM4E B2RXH2 3/20 0.56
▸ HTT P42858 3/20 0.56
▸ TP53 P04637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ DHODH Q02127 1/20 0.53
▸ MMP13 P45452 1/20 0.52

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
SCHEMBL4919472 0.86 NPC1 (0.70) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL4910923 0.85 NPC1 (0.71) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL4914934 0.82 NPC1 (0.63) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL2753849 0.79 NPC1 (0.66) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL27622427 0.79 MAPT (0.77) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL20369717 0.79 MAPT (0.77) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL4910026 0.79 NPC1 (1.00) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL10695859 0.78 MAPT (0.75) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL2753278 0.77 NPC1 (0.69) NPC1RAB9AKMT2ASCDMEN1
SCHEMBL2754049 0.77 NPC1 (0.72) NPC1RAB9AKMT2ASCDMEN1

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 NPC1 1713/4885RAB9A 3792/4885KMT2A 1419/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885RAB9A 3771/4885KMT2A 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.

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