SCHEMBL8776101

SCHEMBL8776101

Cc1ccc(F)c(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
CYP1A2 P05177 4/20 0.39
MBNL1 Q9NR56 1/20 0.39
TGFBR1 P36897 5/20 0.39
CTSA P10619 1/20 0.38
AR P10275 1/20 0.36
NQO2 P16083 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3786375 0.87 CYP1A2 (0.40) NPC1CYP1A2ARNQO2HSD17B10
SCHEMBL8776037 0.87 L3MBTL1 (0.43) NPC1CYP1A2MBNL1TGFBR1CTSA
SCHEMBL8775888 0.86 NPC1 (0.41) NPC1CYP1A2TGFBR1AR
SCHEMBL8775804 0.85 NPC1 (0.40) NPC1CYP1A2MBNL1AR
SCHEMBL8776023 0.84 MAPT (0.41) NPC1CYP1A2CTSAARNQO2
SCHEMBL3794038 0.84 MBNL1 (0.45) NPC1CYP1A2MBNL1TGFBR1AR
SCHEMBL8776097 0.84 NPC1 (0.49) NPC1CYP1A2CTSANQO2
SCHEMBL8775844 0.84 CYP1A2 (0.43) NPC1CYP1A2MBNL1AR
SCHEMBL8775659 0.84 NPC1 (0.52) NPC1CYP1A2MBNL1
SCHEMBL8775725 0.82 MAOA (0.41) NPC1CYP1A2HSD17B10

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
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 NPC1 346/4885CYP1A2 18/4885MBNL1 4381/4885

“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.