SCHEMBL4918858

SCHEMBL4918858

COc1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.76
NPC1 O15118 9/20 0.76
KMT2A Q03164 7/20 0.76
MEN1 O00255 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.72
MAPT P10636 4/20 0.72
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 2/20 0.72
HTT P42858 2/20 0.72
MCL1 Q07820 1/20 0.72
POLB P06746 1/20 0.72
SCD O00767 5/20 0.70
CNR1 P21554 1/20 0.69
TP53 P04637 3/20 0.64
HPGD P15428 2/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
RECQL P46063 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 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
SCHEMBL4920242 0.86 RAB9A (0.79) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16562091 0.85 RAB9A (0.78) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4919731 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13933323 0.83 KMT2A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL30847 0.83 RAB9A (0.75) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL30517 0.83 RAB9A (0.82) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4912951 0.82 SCD (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16554017 0.82 RAB9A (0.69) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL14808194 0.82 CNR1 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4912210 0.82 SCD (0.80) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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