SCHEMBL8776033

SCHEMBL8776033

Cc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 3/20 0.44
KMO O15229 2/20 0.42
POLB P06746 1/20 0.39
SIK2 Q9H0K1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NOTUM Q6P988 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
SCHEMBL8775983 0.90 NPC1 (0.45) NPC1RAB9ATP53MAPTMEN1
SCHEMBL8775555 0.88 NPC1 (0.55) NPC1RAB9AMAPTCYP1A2KDM4E
SCHEMBL8775991 0.88 CYP1A2 (0.43) NPC1RAB9ATP53MAPTCYP1A2
SCHEMBL8776564 0.86 CYP1A2 (0.46) NPC1RAB9ATP53MAPTMEN1
SCHEMBL8776069 0.85 CYP1A2 (0.44) NPC1RAB9ACYP1A2KMOKDM4E
SCHEMBL8775471 0.85 HSD17B14 (0.46) NPC1RAB9ACYP1A2KMOSMN1; SMN2
SCHEMBL8775976 0.84 SMN1; SMN2 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8776116 0.82 SMN1; SMN2 (0.37) NPC1RAB9ATP53MAPTMEN1
SCHEMBL8776012 0.82 PDE10A (0.44) NPC1RAB9ATP53MAPTCYP1A2
SCHEMBL8775682 0.82 CYP1A2 (0.44) NPC1RAB9AMEN1KMT2ACYP1A2

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 346/4885RAB9A 814/4885TP53 2126/4885

“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.