SCHEMBL210774

SCHEMBL210774

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.81
KMT2A Q03164 8/20 0.81
NPC1 O15118 7/20 0.81
MEN1 O00255 7/20 0.81
MAPT P10636 5/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
POLB P06746 2/20 0.81
LMNA P02545 1/20 0.81
NFKB1 P19838 1/20 0.81
NFKB2 Q00653 1/20 0.81
RELA Q04206 1/20 0.81
HDAC6 Q9UBN7 1/20 0.81
HSD17B10 Q99714 2/20 0.69
SCD O00767 7/20 0.67
CSNK1D P48730 1/20 0.67
HTT P42858 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
DYRK1A Q13627 1/20 0.65

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
Frentizole SCHEMBL599582 0.90 RAB9A (1.00) RAB9AKMT2ANPC1MEN1MAPT
Frentizole SCHEMBL11433152 0.88 RAB9A (0.98) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4918017 0.87 RAB9A (0.79) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4924519 0.87 RAB9A (0.79) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL212825 0.87 KMT2A (0.76) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL16554145 0.87 SCD (0.88) RAB9AKMT2ANPC1MEN1SMN1; SMN2
SCHEMBL209812 0.86 NPC1 (0.70) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL2759504 0.85 RAB9A (0.76) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL213883 0.85 GSK3B (0.78) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4909124 0.84 RAB9A (0.74) RAB9AKMT2ANPC1MEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (3 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3036/4885KMT2A 68/4885NPC1 1293/4885
US-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 RAB9A 3771/4885KMT2A 1591/4885NPC1 3462/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3239/4885KMT2A 123/4885NPC1 1178/4885

“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.