SCHEMBL4909166

SCHEMBL4909166

COc1ccc2nc(NC(=O)c3ccco3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 17/20 1.00
▸ NPC1 O15118 16/20 1.00
▸ SMN1; SMN2 Q16637 7/20 0.83
▸ TP53 P04637 4/20 0.83
▸ PKM P14618 2/20 0.83
▸ APOBEC3A P31941 1/20 0.83
▸ APOBEC3G Q9HC16 1/20 0.83
▸ ALDH1A1 P00352 4/20 0.81
▸ MAPT P10636 3/20 0.81
▸ KMT2A Q03164 3/20 0.73
▸ MEN1 O00255 2/20 0.73
▸ KDM4E B2RXH2 4/20 0.70
▸ NFKB1 P19838 2/20 0.70
▸ NFKB2 Q00653 2/20 0.70
▸ RELA Q04206 2/20 0.70
▸ CASP3 P42574 2/20 0.70
▸ SENP8 Q96LD8 2/20 0.70
▸ SENP7 Q9BQF6 2/20 0.70
▸ SENP6 Q9GZR1 2/20 0.70
▸ SCD O00767 3/20 0.68

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
SCHEMBL2244452 0.85 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL16334021 0.83 RAB9A (0.87) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL13587157 0.83 MET (0.73) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL3407604 0.82 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL16681363 0.82 SCD (0.88) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL24729213 0.81 RAB9A (0.73) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL4912951 0.81 SCD (1.00) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL31243 0.81 SCD (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3049831 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL31065 0.80 SCD (1.00) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 RAB9A 3792/4885NPC1 1713/4885SMN1; SMN2 3684/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885SMN1; SMN2 4114/4885

“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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