SCHEMBL1465855

SCHEMBL1465855

O=C([N]C(F)(F)F)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50
CDK9 P50750 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
PDK1 Q15118 2/20 0.49
PDK2 Q15119 2/20 0.49
PDK3 Q15120 2/20 0.49
PDK4 Q16654 2/20 0.49
HSD17B10 Q99714 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
RAB9A P51151 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46

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
SCHEMBL28767340 0.77 TP53 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8396654 0.77 TP53 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11650361 0.76 EPHX2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10457010 0.76 EPHX2 (0.61) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3175598 0.74 SMN1; SMN2 (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL9360689 0.72 EPHX2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5681693 0.72 EPHX2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL5313666 0.72 SMN1; SMN2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL897272 0.72 HSD17B10 (0.58) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8393640 0.72 SMN1; SMN2 (0.56) SMN1; SMN2TP53EPHX1TSHREPHX2

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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 SMN1; SMN2 3195/4885TP53 4349/4885EPHX1 763/4885

“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.