SCHEMBL8777073

SCHEMBL8777073

COC(=O)c1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
PDE5A O76074 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CYP1A2 P05177 1/20 0.42
TNKS O95271 1/20 0.41

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
SCHEMBL8777284 0.88 PDE10A (0.46) MAPTTP53KDM4ENPC1LMNA
SCHEMBL8777251 0.87 PDE10A (0.48) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL8776948 0.83 NPC1 (0.51) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8777277 0.83 SLC6A3 (0.43) ALDH1A1KDM4EHPGDLMNAPKM
SCHEMBL8777041 0.83 KMT2A (0.48) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL8777229 0.83 CYP1A2 (0.48) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777140 0.83 CYP1A2 (0.50) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL8776881 0.83 CYP1A2 (0.50) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL28574625 0.83 CYP1A2 (0.56) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL8776938 0.83 PDE10A (0.51) MAPTALDH1A1KDM4ESMN1; SMN2NPC1

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 3067/4885TP53 2126/4885ALDH1A1 1125/4885

“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.