SCHEMBL1609575

SCHEMBL1609575

COC(=O)c1nc(C2CC2)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDE10A Q9Y233 2/20 0.39
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC29A1 Q99808 1/20 0.35
PYCR1 P32322 1/20 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
SCHEMBL1609907 0.90 ALDH1A1 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1609979 0.89 PDE4B (0.42) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1609421 0.88 PDE10A (0.43) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1610429 0.87 PDE10A (0.41) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610476 0.87 PDE10A (0.41) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1611545 0.87 PDE10A (0.41) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1610294 0.87 PDE10A (0.41) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1609728 0.86 PDE10A (0.42) CRHBPCRHR2PDE10ACHRM3PDE4A
SCHEMBL1609828 0.84 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL1610432 0.84 TSHR (0.40) CRHBPCRHR2PDE10ACHRM3PDE4A

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 CRHBP 4466/4885CRHR2 4320/4885PDE10A 1704/4885

“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.