SCHEMBL1225547

SCHEMBL1225547

COc1cc(N=Cc2c(F)cc(OC)cc2F)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 1/20 0.42
NQO2 P16083 1/20 0.41
CYP1B1 Q16678 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KMT2A Q03164 3/20 0.36
AMY1A P0DUB6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1225545 1.00 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19953040 0.77 KMT2A (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14832830 0.76 NQO2 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14832831 0.76 NQO2 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14832132 0.75 POLB (0.46) ALDH1A1MAPTPTGS2CYP1A2TAAR1
SCHEMBL14832131 0.75 POLB (0.46) ALDH1A1MAPTPTGS2CYP1A2TAAR1
SCHEMBL1025375 0.74 PTGS2 (0.40) ALDH1A1MAPTRAB9APTGS2CYP1A2
SCHEMBL1025374 0.74 PTGS2 (0.40) ALDH1A1MAPTRAB9APTGS2CYP1A2
SCHEMBL7788411 0.73 NQO2 (0.51) MAPTNPC1NQO2CYP1B1CYP1A1
SCHEMBL7788406 0.73 NQO2 (0.51) MAPTNPC1NQO2CYP1B1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 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 (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 ALDH1A1 2522/4885MAPT 4335/4885NPC1 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.