SCHEMBL5202247

SCHEMBL5202247

O=C(NC(Cc1ccccc1)c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.48
ITGB1 P05556 6/20 0.47
ITGA4 P13612 6/20 0.47
ITGB7 P26010 2/20 0.46
GLA P06280 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL526159 0.80 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL5202859 0.73 GAA (0.45) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL6553866 0.71 LMNA (0.60) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL12501761 0.71 MEN1 (0.77) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL15286566 0.71 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL21950 0.71 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL29356683 0.71 KMT2A (0.61) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL16927681 0.70 MAPK1 (0.53) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL4066390 0.70 L3MBTL1 (0.69) ITGB1ITGA4ITGB7
SCHEMBL4552882 0.70 MAPK1 (0.45) KMT2AMEN1MAPTSMN1; SMN2NPSR1

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 8 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
CN-1132816-C 2-pyridylmethylamine derivatives useful as fungicides AVENTIS CROPSCIENCE UK LTD. (GB) 2003-12-31 CN 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
CN-1291187-A 2-pyridylmethylamine derivatives useful as fungicides AGREVO UK LTD (GB) 2001-04-11 CN disclosed
EP-1056723-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES Aventis CropScience UK Limited (GB) 2000-12-06 EP disclosed
WO-1999042447-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES AVENTIS CROPSCIENCE UK LIMITED (GB) 1999-08-26 WO 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 KMT2A 407/4885MEN1 1320/4885MAPT 3640/4885

“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.