SCHEMBL8776689

SCHEMBL8776689

Cc1ccc(-c2ncc3ccccc3n2)nc1-c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
PDE10A Q9Y233 1/20 0.41
CYP1A2 P05177 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MBNL1 Q9NR56 1/20 0.37
CRHR1 P34998 1/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL8776621 0.91 CYP1A2 (0.37) ALDH1A1KDM4EGLAPDE10ACYP1A2
SCHEMBL8776679 0.89 MBNL1 (0.39) ALDH1A1KDM4EGLAPDE10ACYP1A2
SCHEMBL3789674 0.88 PDE10A (0.44) ALDH1A1PDE10ACYP1A2KMT2ACYP3A4
SCHEMBL8776589 0.88 CRHR1 (0.41) KDM4ECYP1A2KMT2ACYP3A4CYP2C9
SCHEMBL8776737 0.88 PDE10A (0.37) ALDH1A1KDM4EGLAPDE10ACYP1A2
SCHEMBL8776925 0.85 CYP1A2 (0.38) ALDH1A1KDM4EPDE10ACYP1A2L3MBTL1
SCHEMBL8776404 0.84 CYP1A2 (0.46) ALDH1A1KDM4EPDE10ACYP1A2KMT2A
SCHEMBL8776992 0.84 MBNL1 (0.56) ALDH1A1PDE10ACYP1A2L3MBTL1MBNL1
SCHEMBL8776915 0.84 CYP1A2 (0.42) ALDH1A1KDM4EPDE10ACYP1A2KMT2A
SCHEMBL8777068 0.84 CYP1A2 (0.40) ALDH1A1KDM4EGLAPDE10ACYP1A2

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 1125/4885KDM4E 1794/4885GLA 2612/4885

“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.