SCHEMBL8778322

SCHEMBL8778322

Cc1cccc(Cc2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
CYP2C19 P33261 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PSMD14 O00487 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 3/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 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
SCHEMBL3786388 0.89 CYP1A2 (0.40) CYP1A2ALDH1A1LMNAKDM4EHPGD
SCHEMBL8778355 0.88 GBA1 (0.38) CYP1A2LMNAHTTMAPTTSHR
SCHEMBL8778412 0.88 KDM4E (0.41) CYP1A2LMNAMEN1KMT2AKDM4E
SCHEMBL8778366 0.86 CYP1A2 (0.38) CYP1A2ALDH1A1LMNACYP2C19MEN1
SCHEMBL8778508 0.86 MAPT (0.47) CYP1A2ALDH1A1LMNACYP2C19MEN1
SCHEMBL8871754 0.85 GPR52 (0.42) CYP1A2CYP2C19CYP3A4CYP2D6LTA4H
SCHEMBL8778433 0.84 CYP1A2 (0.36) CYP1A2LMNAMEN1KMT2AL3MBTL1
SCHEMBL8778044 0.83 CYP2C19 (0.38) CYP1A2ALDH1A1LMNACYP2C19MEN1
SCHEMBL8778423 0.82 LMNA (0.41) CYP1A2LMNAL3MBTL1NPSR1HTT
SCHEMBL8778854 0.80 CYP1A2 (0.39) CYP1A2ALDH1A1LMNACYP2C19MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US 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 18/4885ALDH1A1 1125/4885LMNA 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.