SCHEMBL3329192

SCHEMBL3329192

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.41
KDM4E B2RXH2 4/20 0.40
PKM P14618 2/20 0.40
RCE1 Q9Y256 1/20 0.40
NQO2 P16083 6/20 0.38
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
S1PR4 O95977 1/20 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
SCHEMBL29442492 0.90 KDM4E (0.38) ALPLKDM4EPKMRCE1NQO2
SCHEMBL121226 0.90 KDM4E (0.38) ALPLKDM4EPKMRCE1NQO2
SCHEMBL2469718 0.88 CYP3A4 (0.35) ALPLALDH1A1KMT2AHSD17B10MEN1
SCHEMBL16047255 0.87 ALPL (0.54) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3324552 0.85 ALPL (0.44) ALPLKDM4EPKMRCE1NQO2
SCHEMBL3326424 0.84 ALPL (0.43) ALPLKDM4EPKMRCE1NQO2
SCHEMBL30481033 0.84 ALPL (0.43) ALPLKDM4EPKMRCE1NQO2
SCHEMBL16076596 0.83 ALPL (0.43) ALPLKDM4EPKMRCE1NQO2
SCHEMBL16076598 0.82 ALPL (0.43) ALPLKDM4EPKMRCE1NQO2
SCHEMBL2465412 0.82 ALPL (0.35) ALPLKDM4ENQO2SCN10A

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.