SCHEMBL4909124

SCHEMBL4909124

COc1ccc2nc(NC(=O)Nc3ccc(C#N)cc3)sc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.74
NPC1 O15118 7/20 0.74
MAPT P10636 6/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
POLB P06746 2/20 0.74
LMNA P02545 1/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
HDAC6 Q9UBN7 1/20 0.74
HSD17B10 Q99714 2/20 0.66
ITK Q08881 1/20 0.66
GSK3B P49841 1/20 0.66
CSNK1D P48730 1/20 0.64
HTT P42858 3/20 0.62
DYRK1A Q13627 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62

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
SCHEMBL21568128 0.89 RAB9A (0.73) RAB9ANPC1MAPTMEN1KMT2A
Frentizole SCHEMBL11433152 0.86 RAB9A (0.98) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL21568852 0.86 RAB9A (0.67) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4909981 0.86 SCD (0.80) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4918017 0.85 RAB9A (0.79) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL4924519 0.85 RAB9A (0.79) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL26034949 0.85 DYRK1A (0.61) RAB9ANPC1MAPTMEN1KMT2A
Frentizole SCHEMBL599582 0.85 RAB9A (1.00) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL210774 0.84 RAB9A (0.81) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2759504 0.83 RAB9A (0.76) RAB9ANPC1MAPTMEN1KMT2A

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-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

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 1713/4885MAPT 426/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885NPC1 3462/4885MAPT 1955/4885

“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.