SCHEMBL1609559

SCHEMBL1609559

COC(=O)c1nc(Cl)nc(NCc2ccccc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.51
APP P05067 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CDK1 P06493 2/20 0.46
KDM5B Q9UGL1 1/20 0.46
PLAU P00749 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PPARG P37231 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
F2 P00734 1/20 0.45

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
SCHEMBL2683686 0.87 MAPT (0.50) ALDH1A1KDM4EHPGDPLAUNPSR1
SCHEMBL1609704 0.83 PDE10A (0.62) PDE5AALDH1A1KDM4EHPGDCRHBP
SCHEMBL1609885 0.83 KMT2A (0.57) PDE5AALDH1A1KDM4EHPGDCA1
SCHEMBL118131 0.80 SMN1; SMN2 (0.49) APPALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2681602 0.80 MEN1 (0.47) ALDH1A1KDM4ECYP3A4GAACYP2C19
SCHEMBL11731572 0.80 PLAU (0.52) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL11913399 0.79 L3MBTL1 (0.39) PDE5AALDH1A1KDM4EHPGDNPSR1
SCHEMBL2684650 0.78 ADORA2A (0.41) KDM4E
SCHEMBL11902751 0.78 CYP1A2 (0.44) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL2135021 0.78 CA1 (0.47) ALDH1A1KDM4EHPGDCRHBPCRHR2

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
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 WO disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE5A 1238/4885APP 3848/4885ALDH1A1 1562/4885
US-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO PDE5A 3321/4885APP 4599/4885ALDH1A1 718/4885

“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.