SCHEMBL438391

SCHEMBL438391

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cccc(C(=O)N(C)C3CCCc4ccccc43)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
SPR P35270 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KCNH2 Q12809 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
SCHEMBL169067 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL4623160 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL775490 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL231822 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419093 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419078 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL29419132 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL122901 0.87 GAA (0.40) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL1274327 0.86 GAA (0.42) GAAMEN1KMT2AKDM4ECCR1
SCHEMBL1274329 0.86 GAA (0.42) GAAMEN1KMT2AKDM4ECCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464630-B1 MICROBIOCIDAL HETEROCYCLES SYNGENTA PARTICIPATIONS AG (CH) 2016-05-25 EP disclosed
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-20130144064-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2013-06-06 US disclosed
EP-2576539-A1 PYRIDINYLCARBOXYLIC ACID DERIVATIVES AS FUNGICIDES Bayer CropScience AG (DE) 2013-04-10 EP disclosed
US-8367844-B2 Microbiocidal heterocycles SYNGENTA CROP PROTECTION LLC (US) 2013-02-05 US disclosed
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES SYNGENTA CROP PROTECTION, LLC (US) 2012-06-07 US 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 (4 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 GAA 1298/4885MEN1 412/4885KMT2A 3169/4885
US-20140066442-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 GAA 1214/4885MEN1 428/4885KMT2A 3300/4885
US-20120142698-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CBR3 GAA 3965/4885MEN1 2163/4885KMT2A 4420/4885
US-20130144064-A1 MICROBIOCIDAL HETEROCYCLES CBR1, NOX1, CX3CR1 GAA 4083/4885MEN1 2183/4885KMT2A 4365/4885

“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.