SCHEMBL3925944

SCHEMBL3925944

O=C(NOCc1ncc(C(F)(F)F)cc1Cl)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
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
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 3/20 0.46
PKM P14618 1/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
TLR8 Q9NR97 1/20 0.45

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
SCHEMBL3924230 0.91 KMT2A (0.61) SMN1; SMN2MAPTNPSR1LMNAKMT2A
SCHEMBL3925495 0.83 SMN1; SMN2 (0.56) SMN1; SMN2MAPTNPSR1LMNAKMT2A
SCHEMBL3666907 0.83 KMT2A (0.52) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL3457592 0.79 TLR7 (0.54) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL3931421 0.77 GAA (0.59) SMN1; SMN2MAPTNPSR1LMNAKMT2A
SCHEMBL3457186 0.73 KMT2A (0.49) SMN1; SMN2MAPTNPSR1LMNAKMT2A
SCHEMBL21950 0.73 KMT2A (0.61) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL29356683 0.73 KMT2A (0.61) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL15286566 0.73 KMT2A (0.61) SMN1; SMN2MAPTNPSR1KMT2AMEN1
SCHEMBL726389 0.73 MEN1 (0.51) SMN1; SMN2MAPTNPSR1KMT2AMEN1

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 11 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
US-20090253755-A1 N-[(PYRIDIN-2-YL) METHOXY] BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-10-08 US disclosed
US-20090209589-A1 N-[(PYRIDIN-2-YL) METHOXY] HETROCYCLYL CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2009-08-20 US disclosed
EP-2049489-A2 N-METHYL BENZAMIDE DERIVATIVES USEFUL AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-22 EP disclosed
EP-2041092-A1 N- [ (PYRIDIN- 2 -YL) METHOXY]HETEROCYCLYL CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-01 EP disclosed
EP-2041091-A1 N-[(PYRIDIN-2-YL) METHOXY]BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-01 EP disclosed
WO-2008081011-A1 N-METHYL CARBOXAMIDE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-07-10 WO disclosed
WO-2008061866-A1 NEW BENZAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2008-05-29 WO disclosed
WO-2008003741-A1 N- [ (PYRIDIN- 2 -YL) METHOXY]HETEROCYCLYL CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed
WO-2008003739-A1 N-[(PYRIDIN-2-YL) METHOXY]BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO 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 (3 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-20090253755-A1 N-[(PYRIDIN-2-YL) METHOXY] BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES CYP51A1, CYP1A2, CYP3A5 SMN1; SMN2 1676/4885MAPT 1924/4885NPSR1 4182/4885
US-20090298890-A1 NEW N-METHYL BENZAMIDE DERIVATIVES CYP51A1, GANAB, ERG28 SMN1; SMN2 2040/4885MAPT 2466/4885NPSR1 4303/4885
US-20090209589-A1 N-[(PYRIDIN-2-YL) METHOXY] HETROCYCLYL CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FUNGICIDES CYP51A1, CYP1A2, CYP4X1 SMN1; SMN2 3513/4885MAPT 3897/4885NPSR1 3724/4885

“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.