SCHEMBL8776317

SCHEMBL8776317

Cc1c(Cl)cccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
CYP1A2 P05177 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AR P10275 2/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ELANE P08246 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 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
SCHEMBL8775144 0.89 CYP1A2 (0.44) IDO1CYP1A2L3MBTL1CYP2C19KMT2A
SCHEMBL8775758 0.86 GRM5 (0.43) IDO1CYP1A2L3MBTL1CYP2C19KMT2A
SCHEMBL8775218 0.86 CYP1A2 (0.42) CYP1A2L3MBTL1CYP2C19KMT2AMEN1
SCHEMBL8776304 0.84 NPC1 (0.42) CYP1A2L3MBTL1ARPDE10A
SCHEMBL8776076 0.84 KMO (0.44) CYP1A2L3MBTL1CYP2C19KMT2ACYP2C9
SCHEMBL8775528 0.83 CYP1A2 (0.44) IDO1CYP1A2L3MBTL1CYP2C19KMT2A
SCHEMBL8775504 0.79 GRM2 (0.39) CYP1A2L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL8776019 0.79 IDO1 (0.42) IDO1CYP1A2L3MBTL1KMT2AMEN1
SCHEMBL8775074 0.79 CYP1A2 (0.53) CYP1A2L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL8775342 0.78 GRM5 (0.43) CYP1A2KMT2AMEN1SMN1; SMN2AR

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 IDO1 92/4885CYP1A2 18/4885L3MBTL1 3069/4885

“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.