SCHEMBL2019870

SCHEMBL2019870

CCC(C(=O)Nc1ncc(C(=O)NO)s1)c1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.52
KCNQ2 O43526 1/20 0.49
DYRK3 O43781 1/20 0.46
PRKCG P05129 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MAPK1 P28482 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKCD Q05655 1/20 0.46
ROCK1 Q13464 1/20 0.46
PRKG1 Q13976 1/20 0.46
PKN2 Q16513 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
SGK2 Q9HBY8 1/20 0.46
CSNK1G1 Q9HCP0 1/20 0.46
STK17A Q9UEE5 1/20 0.46

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
SCHEMBL22111715 0.87 POLB (0.47) GLSKCNQ2POLBMEN1KMT2A
SCHEMBL2018206 0.87 POLB (0.47) GLSKCNQ2POLBMEN1KMT2A
SCHEMBL22077754 0.87 POLB (0.47) GLSKCNQ2POLBMEN1KMT2A
SCHEMBL2019164 0.85 KCNQ2 (0.48) KCNQ2POLBMEN1KMT2AHDAC1
SCHEMBL2016410 0.85 HDAC1 (0.61) POLBMEN1KMT2AHDAC1HDAC3
SCHEMBL2019336 0.80 GLS (0.47) GLSPOLBMEN1KMT2AHDAC1
SCHEMBL2019259 0.79 HDAC1 (0.48) POLBHDAC1HDAC3HDAC4HDAC8
SCHEMBL2020130 0.79 HDAC1 (0.54) KCNQ2POLBMEN1KMT2AHDAC1
SCHEMBL2015269 0.78 HDAC1 (0.50) KCNQ2POLBHDAC1HDAC3HDAC4
SCHEMBL2019341 0.78 GLS (0.58) GLSPOLBMEN1KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US claimed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US claimed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 WO claimed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-9221773-B2 Benzamide derivatives THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2015-12-29 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 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 (1 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-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT GLS 134/4885KCNQ2 3751/4885DYRK3 4731/4885

“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.