SCHEMBL8778433

SCHEMBL8778433

Cc1ccc(C)c(Cc2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
TNF P01375 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
NQO2 P16083 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL8778361 0.89 CYP1A2 (0.39) CYP1A2MEN1KMT2ANPC1RAB9A
SCHEMBL8778366 0.85 CYP1A2 (0.38) CYP1A2TP53MEN1KMT2AMAPT
SCHEMBL8778192 0.84 CYP1A2 (0.36) CYP1A2TSHRTP53TNFMEN1
SCHEMBL8778322 0.84 CYP1A2 (0.38) CYP1A2TSHRTP53MEN1KMT2A
SCHEMBL8778324 0.83 CYP1A2 (0.40) CYP1A2LMNAMAPK1
SCHEMBL8778331 0.83 RXFP1 (0.37) CYP1A2TP53MEN1KMT2AMAPT
SCHEMBL8778454 0.83 CYP1A2 (0.36) CYP1A2TP53MEN1KMT2AMAPT
SCHEMBL3786388 0.82 CYP1A2 (0.40) CYP1A2GAASMN1; SMN2LMNA
SCHEMBL8778378 0.81 CYP1A2 (0.34) CYP1A2MEN1KMT2AMAPTNPC1
SCHEMBL8778396 0.81 LMNA (0.38) CYP1A2TSHRTP53MEN1KMT2A

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 18/4885TSHR 4374/4885TP53 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.