SCHEMBL1609455

SCHEMBL1609455

COC(=O)c1nc(C2CC2)nc(N(C)Cc2ccccc2[N+](=O)[O-])c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1609694 0.87 SMN1; SMN2 (0.41) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL12713240 0.85 CHRM3 (0.39) HTTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1609555 0.83 ALDH1A1 (0.36) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL1609575 0.83 CRHBP (0.40) ALDH1A1SMN1; SMN2
SCHEMBL1609907 0.82 ALDH1A1 (0.41) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL1609556 0.81 KDM4E (0.43) KMT2AHTTKDM4EMEN1ALDH1A1
SCHEMBL1610224 0.80 SLC6A3 (0.40) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL1609979 0.79 PDE4B (0.42) HTTKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL1609421 0.78 PDE10A (0.43) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL1609728 0.78 PDE10A (0.42) KMT2AKDM4EMEN1ALDH1A1

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 3 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
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 KMT2A 2003/4885HTT 1789/4885KDM4E 2613/4885

“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.