SCHEMBL1609407

SCHEMBL1609407

COC(=O)c1nc(C2CC2)nc(N(CCC#N)Cc2ccccc2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 3/20 0.37
PDE10A Q9Y233 1/20 0.36
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
LIMK1 P53667 2/20 0.34
LIMK2 P53671 2/20 0.34

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
SCHEMBL1609980 0.89 CHRM3 (0.43) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL12713234 0.89 PDE4A (0.39) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1609945 0.87 PDE4A (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL12712701 0.86 CHRM3 (0.41) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1610278 0.86 PDE4A (0.39) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1609785 0.85 CHRM3 (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1610169 0.85 CHRM3 (0.37) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1609211 0.85 CHRM3 (0.39) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1610386 0.84 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDCHRM3PDE4A
SCHEMBL1609969 0.83 CHRM3 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 ALDH1A1 1562/4885KDM4E 2613/4885HPGD 1668/4885

“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.