SCHEMBL441326

SCHEMBL441326

O=C(O)c1cccc(N2CCC(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
ALDH1A1 P00352 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HSD11B1 P28845 4/20 0.36
PRKCQ Q04759 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACACB O00763 2/20 0.34
HSD17B14 Q9BPX1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL439795 0.84 IRAK4 (0.40) ALDH1A1IRAK4MEN1GAAMAPT
SCHEMBL440227 0.74 ALDH1A1 (0.40) ALDH1A1IRAK4CYP1A2CYP3A4CYP2D6
SCHEMBL2638900 0.70 HSD11B1 (0.56) TTRHSD11B1PRKCQCYP1A2CYP2D6
SCHEMBL440115 0.70 HRH3 (0.35) ALDH1A1IRAK4HRH3MEN1LMNA
SCHEMBL14837551 0.69 ALDH1A1 (0.37) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL27665047 0.69 PRKCQ (0.62) TTRIRAK4HSD11B1PRKCQCYP1A2
SCHEMBL31078476 0.67 GNE (0.44) TTRHSD11B1HSD17B14GAA
SCHEMBL9005452 0.67 PRKCQ (0.63) TTRIRAK4HSD11B1PRKCQCYP1A2
SCHEMBL836939 0.67 GNE (0.60) TTRALDH1A1HSD11B1PRKCQHSD17B14
SCHEMBL14879835 0.67 GNE (0.56) TTRALDH1A1HSD11B1PRKCQHSD17B14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748420-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-06 US disclosed
US-8604040-B2 Pyridinylcarboxylic acid derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 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 (2 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 TTR 1986/4885ALDH1A1 1009/4885IRAK4 3410/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 TTR 2238/4885ALDH1A1 1051/4885IRAK4 3478/4885

“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.