SCHEMBL4883745

SCHEMBL4883745

NC(=O)c1ccc(C(F)F)nc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NNMT P40261 1/20 0.35
DGAT1 O75907 1/20 0.34
PARP1 P09874 3/20 0.33
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
IKBKB O14920 1/20 0.32
ERN1 O75460 1/20 0.32
KMT2A Q03164 2/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MEN1 O00255 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL29232694 0.85 CYP1A2 (0.39) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL30946339 0.85 CYP1A2 (0.39) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL30733977 0.76 DGAT1 (0.42) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL564729 0.74 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3633773 0.70 P2RX7 (0.40) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28349851 0.68 NQO2 (0.31)
SCHEMBL29505874 0.68 NQO2 (0.31)
SCHEMBL22234567 0.68 PIM1 (0.43) KDM4ETSHRTGFBR1TDP1SCN9A
SCHEMBL29444559 0.68 PIM1 (0.43) KDM4ETSHRTGFBR1TDP1SCN9A
SCHEMBL9690501 0.68 GABRP (0.39) KDM4EALDH1A1TSHRTDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101677549-A Use of pyridine-2-oxy-3-carboxamides as safeners BAYER CROPSCIENCE AG 2010-03-24 CN disclosed
WO-2008131861-A1 USE OF PYRIDINE-2-OXY-3-CARBONAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987718-A1 Utilisation of pyridine-2-oxy-3-carbon amides as safener Bayer CropScience AG (DE) 2008-11-05 EP disclosed
US-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 US disclosed
US-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS BAYER CROPSCIENCE AG (DE) 2008-10-30 US 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-20080269052-A1 USE of PYRIDINE-2-OXY-3-CARBOXAMIDES AS SAFENERS CBR3, CBR1, CYP4Z1 KDM4E 3015/4885ALDH1A1 279/4885MAPT 4845/4885

“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.