SCHEMBL5200375

SCHEMBL5200375

O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.53
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
POLB P06746 2/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC40A1 Q9NP59 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL27781942 0.91 GLA (0.55) GLAKMT2AMEN1POLBGAA
Fluopyram SCHEMBL29353266 0.89 GLA (0.59) GLAKMT2AMEN1POLBGAA
Fluopyram SCHEMBL67230 0.89 GLA (0.59) GLAKMT2AMEN1POLBGAA
SCHEMBL3781264 0.87 GLA (0.54) GLAKMT2AMEN1POLBGAA
SCHEMBL4915276 0.86 KMT2A (0.54) GLAKMT2AMEN1POLBSLC40A1
SCHEMBL7184709 0.86 P2RX7 (0.51) GLAKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6026868 0.86 GLA (0.53) GLAKMT2AMEN1POLBGAA
SCHEMBL27637681 0.85 KMT2A (0.55) GLAKMT2AMEN1POLBGAA
SCHEMBL21950 0.84 KMT2A (0.61) GLAKMT2AMEN1POLBSLC40A1
SCHEMBL29356683 0.84 KMT2A (0.61) GLAKMT2AMEN1POLBSLC40A1

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
EP-1056723-B1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE LTD (GB) 2007-11-28 EP disclosed
US-6828441-B2 Agriculture AVENTIS CROPSCIENCE UK LIMITED (GB) 2004-12-07 US disclosed
US-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides AVENTIS CROPSCIENCE UK LIMITED 2003-09-11 US disclosed
US-6503933-B1 Combating phytopathogenic fungi AVENTIS CROPSCIENCE UK LIMITED (GB) 2003-01-07 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-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides PNPO, ME1, CYP2S1 GLA 2862/4885KMT2A 407/4885MEN1 1320/4885

“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.