SCHEMBL440115

SCHEMBL440115

O=C(OC1CCCc2ccccc21)c1cccc(N2CCN(C(=O)Cn3nc(C(F)F)cc3C(F)F)CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD3 P35462 1/20 0.34
IRAK4 Q9NWZ3 8/20 0.34
FLT3 P36888 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL29814837 0.82 FAAH (0.34) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL1765540 0.82 FAAH (0.34) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL1765069 0.82 FAAH (0.34) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL1765067 0.82 FAAH (0.34) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL14837508 0.81 ELANE (0.35) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL14837937 0.81 HAO1 (0.35) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL439795 0.80 IRAK4 (0.40) MEN1GAAKMT2AIRAK4FLT3
SCHEMBL441577 0.80 ALDH1A1 (0.44) GAAIRAK4FLT3ALDH1A1MAPT
SCHEMBL14360360 0.74 LMNA (0.56) MEN1GAAKMT2AALDH1A1LMNA
SCHEMBL14360352 0.74 LMNA (0.56) MEN1GAAKMT2AALDH1A1LMNA

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
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
EP-2576539-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 US disclosed
WO-2011147765-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-12-01 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 (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 HRH3 1445/4885MEN1 412/4885GAA 1298/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 HRH3 1348/4885MEN1 428/4885GAA 1214/4885

“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.