SCHEMBL4915124

SCHEMBL4915124

Cc1cccc(C(=O)Nc2nc3ccc(Br)cc3s2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.74
RAB9A P51151 7/20 0.71
NPC1 O15118 6/20 0.71
RXFP1 Q9HBX9 1/20 0.71
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
DYRK1A Q13627 1/20 0.63
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61
MAP3K5 Q99683 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
KLK7 P49862 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
LRRK2 Q5S007 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL14807437 0.86 MAP3K5 (0.68) SCDRAB9ANPC1RXFP1CYP1A2
SCHEMBL5445832 0.86 HPGDS (0.69) SCDRAB9ANPC1CYP1A2CYP3A4
SCHEMBL8552971 0.85 SCD (1.00) SCDRAB9ANPC1RXFP1SMN1; SMN2
SCHEMBL4919127 0.84 SCD (1.00) SCDRAB9ANPC1RXFP1CYP1A2
SCHEMBL5447236 0.83 DHODH (0.59) SCDRAB9ANPC1RXFP1CYP1A2
SCHEMBL14985591 0.83 SCD (0.81) SCDRAB9ANPC1RXFP1DYRK1A
SCHEMBL5713530 0.81 MAP3K5 (0.75) SCDRAB9ANPC1DYRK1AMAP3K5
SCHEMBL28470606 0.81 NPC1 (0.55) SCDRAB9ANPC1RXFP1CYP1A2
SCHEMBL14807002 0.81 MEN1 (0.72) SCDRAB9ANPC1RXFP1DYRK1A
SCHEMBL13329187 0.81 HPGDS (0.69) SCDRAB9ANPC1RXFP1DYRK1A

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

“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.