SCHEMBL3329432

SCHEMBL3329432

COC(=O)c1nc(-c2ccc(Br)c(OC)c2Cl)cc(N)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.37
NQO2 P16083 3/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 3/20 0.36
PKM P14618 3/20 0.36
RCE1 Q9Y256 1/20 0.36
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.34
PTPN1 P18031 1/20 0.34
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3328865 0.92 ALOX5AP (0.46) ALPLNQO2ALOX5APFEN1KDM4E
SCHEMBL2462589 0.89 HSD17B10 (0.37) ALOX5APFEN1KDM4EALDH1A1MAPT
SCHEMBL30481033 0.88 ALPL (0.43) ALPLNQO2KDM4EPKMRCE1
SCHEMBL3326424 0.88 ALPL (0.43) ALPLNQO2KDM4EPKMRCE1
SCHEMBL3327659 0.86 KDM4E (0.39) ALPLNQO2KDM4EPKMRCE1
SCHEMBL3329011 0.86 PTPN11 (0.39) ALPLNQO2KDM4EPKMRCE1
SCHEMBL29556762 0.85 NQO2 (0.36) ALPLNQO2ALOX5APFEN1KDM4E
SCHEMBL16035468 0.85 NQO2 (0.36) ALPLNQO2ALOX5APFEN1KDM4E
SCHEMBL9939657 0.83 KDM4E (0.40) ALPLNQO2KDM4EPKMRCE1
SCHEMBL3324994 0.83 ALPL (0.35) ALPLNQO2KDM4EPKMRCE1

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-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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN 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 706/4885NQO2 117/4885ALOX5AP 3496/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALPL 706/4885NQO2 117/4885ALOX5AP 3496/4885

“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.