SCHEMBL8776700

SCHEMBL8776700

Cc1cc(Cl)ccc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.41
GRM2 Q14416 1/20 0.38
CYP1A2 P05177 3/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK10 P53779 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HSP90AB1 P08238 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8776589 0.92 CRHR1 (0.41) CRHR1CYP1A2MAPTMEN1KMT2A
SCHEMBL8776925 0.91 CYP1A2 (0.38) CRHR1CYP1A2MAPTALDH1A1L3MBTL1
SCHEMBL8776737 0.89 PDE10A (0.37) CRHR1CYP1A2MAPTALDH1A1L3MBTL1
SCHEMBL8776807 0.88 MBNL1 (0.44) CYP1A2MBNL1
SCHEMBL8776597 0.88 CYP1A2 (0.39) CYP1A2MAPTALDH1A1MEN1ALOX12
SCHEMBL8777294 0.87 HSD11B1 (0.37) GRM2CYP1A2MBNL1KDM4CKDM4E
SCHEMBL8776542 0.85 MBNL1 (0.40) CYP1A2MAPTALDH1A1MEN1ALOX12
SCHEMBL8777029 0.85 L3MBTL1 (0.43) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL8775504 0.85 GRM2 (0.39) CRHR1GRM2CYP1A2MAPTALDH1A1
SCHEMBL8776867 0.85 MBNL1 (0.38) CYP1A2MAPTMBNL1HTTNPSR1

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 CRHR1 4664/4885GRM2 2346/4885CYP1A2 18/4885

“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.