SCHEMBL8775845

SCHEMBL8775845

CC(C)c1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
RAB9A P51151 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PAX8 Q06710 1/20 0.43
NOD2 Q9HC29 1/20 0.43
DHODH Q02127 2/20 0.41
NPC1 O15118 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
THPO P40225 1/20 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
SCHEMBL8775690 0.86 CYP1A2 (0.43) CYP1A2RAB9AMAPTNPC1MEN1
SCHEMBL28226635 0.85 CYP1A2 (0.62) CYP1A2RAB9AMAPTL3MBTL1PAX8
SCHEMBL8775562 0.84 CYP1A2 (0.50) CYP1A2RAB9AMAPTL3MBTL1NPC1
SCHEMBL8775312 0.84 RAB9A (0.51) CYP1A2RAB9AMAPTL3MBTL1NPC1
SCHEMBL9607713 0.84 MEN1 (0.57) CYP1A2RAB9AMAPTNPC1MEN1
SCHEMBL3784385 0.84 RAB9A (0.55) CYP1A2RAB9AMAPTNPC1MEN1
SCHEMBL8776659 0.82 CYP1A2 (0.46) CYP1A2RAB9AMAPTL3MBTL1PAX8
SCHEMBL8776094 0.81 CYP1A2 (0.47) CYP1A2RAB9AMAPTL3MBTL1NPC1
SCHEMBL8775116 0.81 CYP1A2 (0.47) CYP1A2RAB9AMAPTNPC1MEN1
SCHEMBL8775262 0.81 NPC1 (0.60) CYP1A2RAB9AMAPTL3MBTL1NPC1

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 814/4885MAPT 3067/4885

“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.