SCHEMBL1122502

SCHEMBL1122502

Cn1cc(C(=O)OC(=O)c2cn(C)nc2C(F)(F)F)c(C(F)(F)F)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
STING1 Q86WV6 1/20 0.39
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
KLK7 P49862 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL6887159 0.88 GAA (0.68) GAALMNAPOLBSTING1NPC1
SCHEMBL28342529 0.88 GAA (0.56) GAALMNAPOLBSTING1NPC1
SCHEMBL965934 0.85 GAA (0.60) GAALMNAPOLBKDM4EALDH1A1
SCHEMBL13064423 0.83 GAA (0.54) GAALMNAPOLBSTING1KDM4E
SCHEMBL13936345 0.82 POLB (0.58) GAALMNAPOLBSTING1ALDH1A1
SCHEMBL353314 0.82 GAA (0.56) GAALMNAPOLBSTING1NPC1
SCHEMBL19182678 0.82 GAA (0.56) GAALMNAPOLBSTING1NPC1
SCHEMBL970933 0.81 GAA (0.55) GAALMNAPOLBSTING1NPC1
SCHEMBL4556189 0.81 GAA (0.55) GAALMNAPOLBSTING1KDM4E
SCHEMBL17350744 0.81 GAA (0.55) GAALMNAPOLBSTING1KDM4E

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-1597252-B1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS BAYER SAS (FR) 2011-02-09 EP disclosed
US-7754741-B2 Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE S.A. (FR) 2010-07-13 US disclosed
US-7754741-B2 Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE S.A. (FR) 2010-07-13 US disclosed
US-7754741-B2 Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE S.A. (FR) 2010-07-13 US disclosed
CN-100402525-C Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE SA (FR) 2008-07-16 CN disclosed
CN-1751039-A Pyridine derivatives as fungicidal compounds BAYER CROPSCIENCE SA (FR) 2006-03-22 CN disclosed
US-20060052366-A1 Pyridine derivatives as fungicidal compounds BAYER SAS (FR) 2006-03-09 US disclosed
EP-1597252-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS Bayer CropScience S.A. (FR) 2005-11-23 EP disclosed
WO-2004074280-A1 PYRIDINE DERIVATIVES AS FUNGICIDAL COMPOUNDS BAYER CROPSCIENCE SA (FR) 2004-09-02 WO disclosed
EP-1449841-A1 New fungicidal compounds Bayer CropScience SA (FR) 2004-08-25 EP 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-20060052366-A1 Pyridine derivatives as fungicidal compounds CYP3A7, CYP4B1, CYP4X1 GAA 80/4885LMNA 4207/4885POLB 4012/4885

“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.