SCHEMBL3428080

SCHEMBL3428080

CNC(=O)C(Cc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.43
POLB P06746 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 2/20 0.41
GLA P06280 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KIFC1 Q9BW19 2/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NCS1 P62166 1/20 0.40

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
SCHEMBL784578 0.85 LMNA (0.53) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL784099 0.83 NPSR1 (0.49) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL783546 0.82 LMNA (0.48) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL6606104 0.80 MAPK1 (0.47) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL784102 0.78 GLA (0.43) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL14921059 0.76 GAA (0.44) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL783552 0.76 LMNA (0.51) KMT2AMEN1POLBGLAGAA
SCHEMBL18335147 0.74 GLA (0.46) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL15061809 0.73 GLA (0.47) KMT2AMEN1POLBCYP1A2CYP3A4
SCHEMBL4418292 0.72 GLA (0.45) KMT2AMEN1POLBCYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754741-B2 Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE S.A. (FR) 2010-07-13 US disclosed
US-20060052366-A1 Pyridine derivatives as fungicidal compounds BAYER SAS (FR) 2006-03-09 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 (1 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-20060052366-A1 Pyridine derivatives as fungicidal compounds CYP3A7, CYP4B1, CYP4X1 KMT2A 3663/4885MEN1 2071/4885POLB 4012/4885

“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.