SCHEMBL3781264

SCHEMBL3781264

O=C(NCCCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
MAPT P10636 2/20 0.53
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
P2RX7 Q99572 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6026868 0.97 GLA (0.53) GLAMAPTKMT2AMEN1P2RX7
Fluopyram SCHEMBL29353266 0.94 GLA (0.59) GLAMAPTKMT2AMEN1P2RX7
Fluopyram SCHEMBL67230 0.94 GLA (0.59) GLAMAPTKMT2AMEN1P2RX7
Fluopyram SCHEMBL2847533 0.88 GLA (0.53) GLAMAPTKMT2AMEN1P2RX7
SCHEMBL5200375 0.87 GLA (0.53) GLAMAPTKMT2AMEN1ALDH1A1
SCHEMBL16363567 0.86 GLA (0.56) GLAMAPTKMT2AMEN1P2RX7
SCHEMBL19141018 0.86 GLA (0.51) GLAMAPTKMT2AMEN1P2RX7
SCHEMBL4006228 0.85 GLA (0.53) GLAMAPTKMT2AMEN1P2RX7
SCHEMBL14921132 0.85 GLA (0.49) GLAMAPTKMT2AMEN1P2RX7
Fluopyram SCHEMBL4426432 0.85 GLA (0.50) GLAMAPTKMT2AMEN1P2RX7

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 GLA 410/4885MAPT 1962/4885KMT2A 1086/4885

“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.