SCHEMBL1025697

SCHEMBL1025697

O=C(Cc1c(F)cccc1F)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
GSK3B P49841 2/20 0.50
TP53 P04637 2/20 0.49
CNR1 P21554 1/20 0.47
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
PABPC1 P11940 1/20 0.44
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2567741 0.88 NPC1 (0.52) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL14815032 0.81 MAPT (0.56) MAPTNPC1RAB9ATP53ALDH1A1
SCHEMBL6202500 0.81 L3MBTL1 (0.59) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL27622582 0.77 L3MBTL1 (0.59) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL8956315 0.75 L3MBTL1 (0.65) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL38657578 0.74 RAB9A (0.62) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL13068944 0.74 CES2 (0.39) MAPTL3MBTL1TP53CNR1ALDH1A1
SCHEMBL8956384 0.73 RAB9A (0.71) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL6202445 0.73 RAB9A (0.71) MAPTL3MBTL1NPC1RAB9AGSK3B
SCHEMBL1753283 0.72 RAB9A (0.85) MAPTL3MBTL1NPC1RAB9AGSK3B

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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 MAPT 4335/4885L3MBTL1 3138/4885NPC1 605/4885

“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.