SCHEMBL5732234

SCHEMBL5732234

O=C(Nc1nc2ccccc2s1)c1ccc(Br)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.70
▸ KMT2A Q03164 8/20 0.70
▸ RAB9A P51151 7/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.70
▸ MEN1 O00255 5/20 0.70
▸ POLB P06746 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ MAPT P10636 5/20 0.68
▸ MAPK1 P28482 4/20 0.68
▸ ALOX15 P16050 4/20 0.68
▸ TSHR P16473 3/20 0.68
▸ USP2 O75604 1/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ CASP3 P42574 3/20 0.64
▸ SENP8 Q96LD8 3/20 0.64
▸ SENP7 Q9BQF6 3/20 0.64
▸ SENP6 Q9GZR1 3/20 0.64

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
SCHEMBL4918045 0.80 RAB9A (1.00) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL3049831 0.78 RAB9A (0.77) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL2245324 0.78 CSNK2A2 (0.74) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL14757314 0.77 NPC1 (0.64) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6227373 0.77 RAB9A (0.62) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL4920257 0.77 NPC1 (0.78) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL2242970 0.77 CNR1 (0.69) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL3053529 0.76 NPC1 (1.00) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL30576863 0.76 MEN1 (0.71) NPC1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL26606525 0.76 MEN1 (0.71) NPC1KMT2ARAB9ASMN1; 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 NPC1 1713/4885KMT2A 1419/4885RAB9A 3792/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 NPC1 3462/4885KMT2A 1591/4885RAB9A 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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