SCHEMBL8775555

SCHEMBL8775555

Cc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
CYP1A2 P05177 3/20 0.47
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDR P35968 2/20 0.37
PDGFRB P09619 1/20 0.37
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CTSA P10619 1/20 0.35
LCK P06239 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK14 Q16539 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 0.88 CYP1A2 (0.44) NPC1CYP1A2RAB9ASMN1; SMN2KDM4E
SCHEMBL8776033 0.88 NPC1 (0.45) NPC1CYP1A2RAB9ASMN1; SMN2KDM4E
SCHEMBL8775682 0.88 CYP1A2 (0.44) NPC1CYP1A2RAB9AHSD17B1HSD17B2
SCHEMBL8775983 0.88 NPC1 (0.45) NPC1CYP1A2RAB9ASMN1; SMN2KDR
SCHEMBL8775655 0.86 NPC1 (0.50) NPC1CYP1A2RAB9ASMN1; SMN2PDGFRB
SCHEMBL28583381 0.85 CYP1A2 (0.58) NPC1CYP1A2RAB9ASMN1; SMN2KDR
SCHEMBL30674461 0.85 CYP1A2 (0.58) NPC1CYP1A2RAB9ASMN1; SMN2KDR
SCHEMBL8776481 0.85 NPC1 (0.50) NPC1CYP1A2RAB9ASMN1; SMN2KDR
SCHEMBL8775191 0.84 BCHE (0.48) CYP1A2RAB9ASMN1; SMN2MAPTPDE10A
SCHEMBL8775562 0.84 CYP1A2 (0.50) NPC1CYP1A2RAB9ASMN1; SMN2KDM4E

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 18/4885RAB9A 814/4885

“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.