SCHEMBL8775682

SCHEMBL8775682

Cc1cc(-c2cccc(-c3ncc4ccccc4n3)n2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.44
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.40
CASP3 P42574 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
HSD17B14 Q9BPX1 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ATM Q13315 1/20 0.38
PIK3CA P42336 1/20 0.37
TGFBR1 P36897 1/20 0.37
SRC P12931 1/20 0.37
MBNL1 Q9NR56 1/20 0.36
CASR P41180 1/20 0.35
GRIN2B Q13224 2/20 0.35
TRPV3 Q8NET8 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
SCHEMBL8776069 0.90 CYP1A2 (0.44) CYP1A2NPC1RAB9AHSD17B14HSD17B1
SCHEMBL8775555 0.88 NPC1 (0.55) CYP1A2NPC1RAB9AHSD17B14HSD17B1
SCHEMBL8775529 0.88 CYP1A2 (0.45) CYP1A2NPC1RAB9AHSD17B14TGFBR1
SCHEMBL28573822 0.86 CYP1A2 (0.54) CYP1A2NPC1MEN1CASP3RAB9A
SCHEMBL3785988 0.85 CYP1A2 (0.45) CYP1A2NPC1MEN1CASP3RAB9A
SCHEMBL8775983 0.85 NPC1 (0.45) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL8775471 0.85 HSD17B14 (0.46) CYP1A2NPC1RAB9AHSD17B14PIK3CA
SCHEMBL8775655 0.82 NPC1 (0.50) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL8776033 0.82 NPC1 (0.45) CYP1A2NPC1MEN1RAB9AKMT2A
SCHEMBL8776382 0.82 CYP1A2 (0.39) CYP1A2NPC1MEN1KMT2AATM

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 CYP1A2 18/4885NPC1 346/4885MEN1 571/4885

“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.