SCHEMBL3945751

SCHEMBL3945751

O=C(NCOc1ncc(C(F)(F)F)cc1Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
SCN9A Q15858 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.44
PTGES O14684 1/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 2/20 0.44
ALDH1A1 P00352 1/20 0.43
LIPE Q05469 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
SCHEMBL15731331 0.82 SCN9A (0.47) MRGPRX4SMN1; SMN2KDM4EPOLBGAA
SCHEMBL5200375 0.82 GLA (0.53) SMN1; SMN2KDM4EPOLBGAALMNA
SCHEMBL19976665 0.80 GLA (0.52) SMN1; SMN2KDM4EPOLBGAALMNA
Fluopyram SCHEMBL29353266 0.80 GLA (0.59) SMN1; SMN2KDM4EPOLBGAAMEN1
SCHEMBL15703037 0.80 NPC1 (0.47) SMN1; SMN2KDM4EPOLBGAASCN9A
Fluopyram SCHEMBL67230 0.80 GLA (0.59) SMN1; SMN2KDM4EPOLBGAAMEN1
SCHEMBL20363543 0.80 LMNA (0.49) SMN1; SMN2KDM4ESCN9ALMNAMEN1
SCHEMBL3781264 0.78 GLA (0.54) SMN1; SMN2KDM4EPOLBGAAMEN1
SCHEMBL14921068 0.78 P2RX7 (0.47) SMN1; SMN2KDM4EPOLBGAALMNA
SCHEMBL4425267 0.78 KMT2A (0.47) SMN1; SMN2KDM4EPOLBGAALMNA

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-20090298890-A1 NEW N-METHYL BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-12-03 US disclosed
EP-2049489-A2 N-METHYL BENZAMIDE DERIVATIVES USEFUL AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-22 EP disclosed
WO-2008003744-A2 N-METHYL BENZAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 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-20090298890-A1 NEW N-METHYL BENZAMIDE DERIVATIVES CYP51A1, GANAB, ERG28 MRGPRX4 1156/4885SMN1; SMN2 2040/4885KDM4E 411/4885

“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.