SCHEMBL8776451

SCHEMBL8776451

Cc1ccc(C)c(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
RAB9A P51151 5/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MBNL1 Q9NR56 1/20 0.37
AR P10275 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO2 P16083 1/20 0.35
PDE10A Q9Y233 2/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
JAK3 P52333 1/20 0.34
MAPK14 Q16539 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
SCHEMBL8776597 0.91 CYP1A2 (0.39) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3794038 0.90 MBNL1 (0.45) CYP1A2NPC1MBNL1ARNQO2
SCHEMBL8776714 0.88 KMT2A (0.39) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8776882 0.88 CYP1A2 (0.40) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3789674 0.88 PDE10A (0.44) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8776925 0.87 CYP1A2 (0.38) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8776610 0.87 MBNL1 (0.41) CYP1A2MBNL1ARL3MBTL1PDE10A
SCHEMBL8776552 0.86 KDM4E (0.41) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3786375 0.85 CYP1A2 (0.40) CYP1A2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8776881 0.84 CYP1A2 (0.50) CYP1A2RAB9ANPC1SMN1; SMN2MAPT

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 18/4885RAB9A 814/4885NPC1 346/4885

“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.