SCHEMBL3328874

SCHEMBL3328874

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.37
RCE1 Q9Y256 1/20 0.37
ALPL P05186 2/20 0.36
NQO2 P16083 1/20 0.35
RIPK1 Q13546 2/20 0.35
CFTR P13569 3/20 0.34
PDK2 Q15119 2/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABL1 P00519 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PDGFRB P09619 1/20 0.32
KDR P35968 1/20 0.32
S1PR4 O95977 1/20 0.32
NOTUM Q6P988 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL3324876 0.91 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3843276 0.87 KMO (0.35) RIPK1CFTR
SCHEMBL3326459 0.85 KDM4E (0.37) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3880801 0.85 ALPL (0.37) KDM4EPKMRCE1ALPLNQO2
SCHEMBL2465841 0.85 RIPK1 (0.34) ALPLRIPK1CFTRMAP4K1
SCHEMBL3328979 0.84 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29442558 0.84 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL115368 0.84 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29423657 0.84 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL16076596 0.84 ALPL (0.43) KDM4EPKMRCE1ALPLNQO2

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 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885

“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.