SCHEMBL8777429

SCHEMBL8777429

COC(=O)c1ccc(Oc2cccc(-c3ncc4ccccc4n3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 2/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.40
PDE10A Q9Y233 2/20 0.39
ALOX15 P16050 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL8777455 0.83 HTT (0.52) ALDH1A1LMNAL3MBTL1PPARGNPSR1
SCHEMBL3786821 0.83 HTT (0.47) ALDH1A1LMNAL3MBTL1NPSR1MAPT
SCHEMBL8777520 0.82 PDE10A (0.42) ALDH1A1GAALMNAL3MBTL1CYSLTR1
SCHEMBL8777404 0.81 KMT2A (0.52) ALDH1A1LMNAL3MBTL1PPARGNPSR1
SCHEMBL8777351 0.81 HTT (0.52) ALDH1A1L3MBTL1NPSR1TSHRRAB9A
SCHEMBL8777395 0.80 HTT (0.37) ALDH1A1GAALMNAL3MBTL1NPSR1
SCHEMBL8777423 0.80 MEN1 (0.48) ALDH1A1GAALMNAL3MBTL1NPSR1
SCHEMBL8777406 0.79 HAO1 (0.43) ALDH1A1GAALMNAL3MBTL1NPSR1
SCHEMBL8777462 0.79 KMT2A (0.45) ALDH1A1LMNAL3MBTL1NPSR1MAPT
SCHEMBL28574625 0.78 CYP1A2 (0.56) ALDH1A1GAALMNAL3MBTL1CYSLTR1

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 ALDH1A1 1125/4885GAA 693/4885LMNA 3612/4885

“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.