SCHEMBL3779398

SCHEMBL3779398

O=C1c2ccccc2C(=O)N1CCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
GLA P06280 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
MC4R P32245 1/20 0.42
RAB9A P51151 1/20 0.42
CCR6 P51684 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
TLR9 Q9NR96 1/20 0.42
MAPT P10636 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6606281 0.93 KMT2A (0.54) KMT2AGLAKDM4EMEN1TDP1
SCHEMBL6160194 0.85 KMT2A (0.53) KMT2AGLAKDM4EMEN1TDP1
SCHEMBL3783043 0.74 HPGD (0.45) KMT2AGLAKDM4EMEN1TDP1
SCHEMBL783445 0.74 GLA (0.55) KMT2AGLAKDM4EMEN1ALDH1A1
SCHEMBL783555 0.73 KMT2A (0.48) KMT2AGLAKDM4EMEN1TDP1
SCHEMBL16711760 0.72 HPGD (0.50) KMT2AGLAMEN1LMNAALDH1A1
SCHEMBL16711763 0.72 HPGD (0.50) KMT2AGLAMEN1LMNAALDH1A1
SCHEMBL3926762 0.72 TDP1 (0.52) KMT2AGLAKDM4EMEN1TDP1
SCHEMBL3926414 0.72 TDP1 (0.52) KMT2AGLAMEN1TDP1LMNA
SCHEMBL4432039 0.72 TDP1 (0.52) KMT2AGLAKDM4EMEN1TDP1

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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
EP-2081900-A2 NEW N-(3-PYRIDIN-2-YLPROPYL)BENZAMIDE DERIVATIVES Bayer CropScience SA (FR) 2009-07-29 EP disclosed
WO-2008046838-A2 N- (3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-04-24 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-20100324102-A1 N-(3-PYRIDIN-2-YLPROPYL) BENZAMIDE DERIVATIVES AS FUNGICIDES CYP51A1, CYP1A2, CYP3A7 KMT2A 1086/4885GLA 410/4885KDM4E 1054/4885

“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.