SCHEMBL8776023

SCHEMBL8776023

Cc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
ALOX12 P18054 1/20 0.41
MAPK10 P53779 1/20 0.41
CYP1A2 P05177 4/20 0.40
AR P10275 1/20 0.37
CTSA P10619 1/20 0.36
CYP17A1 P05093 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3786375 0.89 CYP1A2 (0.40) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL8775504 0.87 GRM2 (0.39) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL3794048 0.87 AR (0.39) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL8775528 0.86 CYP1A2 (0.44) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29033383 0.86 CYP1A2 (0.50) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL8775971 0.85 NPC1 (0.41) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL8776101 0.84 NPC1 (0.40) CYP1A2ARCTSANQO2HSD17B10
SCHEMBL8776597 0.84 CYP1A2 (0.39) MAPTALDH1A1MEN1KMT2AATM
SCHEMBL8775777 0.83 CYP1A2 (0.41) MAPTCYP1A2ARL3MBTL1LMNA
SCHEMBL8776142 0.82 CYP1A2 (0.48) MAPTALDH1A1MEN1KMT2ACYP1A2

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 MAPT 3067/4885ALDH1A1 1125/4885MEN1 571/4885

“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.