SCHEMBL3329176

SCHEMBL3329176

COC(=O)c1nc(-c2ccc(Cl)c(C(C)F)c2Cl)cc(N)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.40
KDM4E B2RXH2 5/20 0.38
PKM P14618 2/20 0.38
RCE1 Q9Y256 1/20 0.38
NQO2 P16083 3/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ABL1 P00519 1/20 0.33
CFTR P13569 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL3329108 0.92 KDM4E (0.38) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3327448 0.92 ALPL (0.40) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3324901 0.86 KDM4E (0.38) ALPLKDM4EPKMRCE1NQO2
SCHEMBL24986657 0.85 ALPL (0.41) ALPLKDM4EPKMRCE1SCN10A
SCHEMBL10241543 0.85 KDM4E (0.37) ALPLKDM4EPKMRCE1NQO2
SCHEMBL16047255 0.85 ALPL (0.54) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3836852 0.84 ALDH1A1 (0.42) ALPLKDM4EPKMRCE1NQO2
SCHEMBL10241443 0.84 KDM4E (0.36) ALPLKDM4EPKMRCE1NQO2
SCHEMBL16076596 0.84 ALPL (0.43) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3324552 0.83 ALPL (0.44) ALPLKDM4EPKMRCE1NQO2

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 ALPL 706/4885KDM4E 4579/4885PKM 3491/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALPL 706/4885KDM4E 4579/4885PKM 3491/4885

“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.