SCHEMBL17770327

SCHEMBL17770327

COc1ccc(Cl)cc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
GAA P10253 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
NCS1 P62166 1/20 0.64
DCLK1 O15075 1/20 0.63
FES P07332 1/20 0.63
PIM1 P11309 1/20 0.63
CDK2 P24941 1/20 0.63
GSK3A P49840 1/20 0.63
GSK3B P49841 1/20 0.63
IRAK1 P51617 1/20 0.63
MAP4K2 Q12851 1/20 0.63
NTRK3 Q16288 1/20 0.63
HIPK4 Q8NE63 1/20 0.63
AURKB Q96GD4 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
STK17A Q9UEE5 1/20 0.63
MAP4K5 Q9Y4K4 1/20 0.63
CSNK1G3 Q9Y6M4 1/20 0.63

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
SCHEMBL17770524 0.89 KDM4E (0.55) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL24044886 0.88 CSNK1D (0.56) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL27365053 0.88 NCS1 (0.60) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL17770554 0.87 MAPT (0.77) KDM4EGAANPSR1RXFP1DCLK1
SCHEMBL19631005 0.86 CSNK1D (0.55) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL30472744 0.85 CSNK1D (0.62) MAP4K5CSNK1DDYRK1AACP1
SCHEMBL17770389 0.85 CSNK1D (0.62) MAP4K5CSNK1DDYRK1AACP1
SCHEMBL19612158 0.85 KDM4E (0.54) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL19630768 0.85 CSNK1D (0.55) KDM4EGAANPSR1RXFP1NCS1
SCHEMBL19612122 0.84 DYRK1A (0.57) KDM4EGAANPSR1RXFP1NCS1

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-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
EP-3220904-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER Rutgers, the State University of New Jersey (US) 2017-09-27 EP disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 WO disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 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-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER HADHA, HADHB, TFAM KDM4E 800/4885GAA 1318/4885NPSR1 4597/4885

“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.