SCHEMBL8778396

SCHEMBL8778396

COc1ccccc1Cc1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
TSHR P16473 4/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.37
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GBA1 P04062 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8778358 0.87 PDE9A (0.36) CYP1A2
SCHEMBL8778361 0.87 CYP1A2 (0.39) LMNAARMEN1KMT2AUSP2
SCHEMBL8778324 0.83 CYP1A2 (0.40) LMNAMAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8778454 0.83 CYP1A2 (0.36) LMNATP53ARMEN1KMT2A
SCHEMBL8778331 0.83 RXFP1 (0.37) LMNATP53ARMEN1KMT2A
SCHEMBL3781985 0.81 AR (0.36) LMNAARCYP1A2
SCHEMBL8778109 0.81 PDE10A (0.42) LMNATSHRMAPK1TDP1MEN1
SCHEMBL8778433 0.81 CYP1A2 (0.36) LMNATSHRMAPK1TP53MEN1
SCHEMBL8778460 0.81 PTPN11 (0.36) ARMEN1KMT2AUSP2CYP1A2
SCHEMBL8865669 0.81 AR (0.36) TDP1ARCYP1A2CYP3A4CYP2D6

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 3 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

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 LMNA 3612/4885TSHR 4374/4885MAPK1 158/4885

“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.