SCHEMBL8776349

SCHEMBL8776349

COC(=O)c1ccccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 1/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ATR Q13535 1/20 0.41
GRM5 P41594 1/20 0.41
SDHB P21912 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 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
SCHEMBL27029841 0.87 KMT2A (0.51) SLC6A3SLC6A4SLC6A2KMT2AMEN1
SCHEMBL8776096 0.86 KDM4C (0.45) KMT2AMEN1GRM5ALDH1A1KDM4E
SCHEMBL8777277 0.84 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2KMT2AMEN1
SCHEMBL8775247 0.78 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8775528 0.76 CYP1A2 (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8775741 0.76 CYP1A2 (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL8775712 0.76 CYP1A2 (0.41) KMT2AMEN1ATRGRM5TLR8
SCHEMBL8777429 0.75 ALDH1A1 (0.46) CYSLTR1ALDH1A1KDM4EGAAMAPT
SCHEMBL8775356 0.75 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8775074 0.74 CYP1A2 (0.53) KMT2AMEN1ALDH1A1KDM4EGAA

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 SLC6A3 534/4885SLC6A4 791/4885SLC6A2 490/4885

“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.