SCHEMBL8775562

SCHEMBL8775562

Cc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.50
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TDP1 Q9NUW8 2/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CTRC Q99895 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TP53 P04637 2/20 0.38

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
SCHEMBL3784385 0.87 RAB9A (0.55) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8775943 0.87 CYP1A2 (0.46) CYP1A2NPC1TDP1PDE10AMAPT
SCHEMBL8775191 0.85 BCHE (0.48) CYP1A2MEN1KMT2ARAB9APDE10A
SCHEMBL8775116 0.85 CYP1A2 (0.47) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8775312 0.85 RAB9A (0.51) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL9607713 0.85 MEN1 (0.57) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8775845 0.84 CYP1A2 (0.47) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8775262 0.84 NPC1 (0.60) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8775517 0.84 CYP1A2 (0.47) CYP1A2MEN1KMT2ARAB9ANPC1
SCHEMBL8776026 0.84 CYP1A2 (0.47) CYP1A2MEN1KMT2ARAB9ANPC1

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 18/4885MEN1 571/4885KMT2A 2145/4885

“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.