SCHEMBL3327356

SCHEMBL3327356

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.35
KDM4E B2RXH2 4/20 0.34
PKM P14618 2/20 0.34
RCE1 Q9Y256 1/20 0.34
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
S1PR4 O95977 1/20 0.33
ALPL P05186 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALOX5AP P20292 2/20 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
SCHEMBL20727043 0.91 NQO2 (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL29423657 0.90 KDM4E (0.40) NQO2KDM4EPKMRCE1ABL1
SCHEMBL29442558 0.90 KDM4E (0.40) NQO2KDM4EPKMRCE1ABL1
SCHEMBL115368 0.90 KDM4E (0.40) NQO2KDM4EPKMRCE1ABL1
SCHEMBL3329129 0.90 ABL1 (0.37) NQO2KDM4EPKMRCE1ABL1
SCHEMBL2468809 0.90 PRKAB2 (0.36) KDM4ESMN1; SMN2L3MBTL1ADORA2AADORA1
SCHEMBL22181100 0.88 KDM4E (0.35) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL3328865 0.88 ALOX5AP (0.46) NQO2KDM4EPKMRCE1ABL1
SCHEMBL16076559 0.87 NQO2 (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL16047078 0.86 KDM4E (0.39) NQO2KDM4EPKMRCE1ABL1

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 NQO2 117/4885KDM4E 4579/4885PKM 3491/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 NQO2 117/4885KDM4E 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.