SCHEMBL3329129

SCHEMBL3329129

COC(=O)c1nc(-c2ccc(F)c(OC)c2F)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
NQO2 P16083 2/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
RCE1 Q9Y256 1/20 0.35
PTGS2 P35354 1/20 0.35
ALPL P05186 4/20 0.34
S1PR4 O95977 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL3329011 0.94 PTPN11 (0.39) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3327913 0.92 ABL1 (0.40) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL29423657 0.91 KDM4E (0.40) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL29442558 0.91 KDM4E (0.40) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL115368 0.91 KDM4E (0.40) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3327356 0.90 NQO2 (0.35) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3840682 0.89 PTPN11 (0.37) PTPN11ROCK2ROCK1PTGS2
SCHEMBL3327666 0.89 MAPK1 (0.37) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3328865 0.89 ALOX5AP (0.46) ABL1ALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL3332434 0.88 ABL1 (0.37) ABL1ALDH1A1KDM4EPKMSMN1; SMN2

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-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ABL1 760/4885ALDH1A1 209/4885KDM4E 4579/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ABL1 760/4885ALDH1A1 209/4885KDM4E 4579/4885

“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.