SCHEMBL8779415

SCHEMBL8779415

CC(C)Oc1nc(-c2cccc(Cc3ccccc3)n2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ATM Q13315 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
TSHR P16473 1/20 0.53
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
VDR P11473 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
AHR P35869 1/20 0.37
NR1I3 Q14994 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3787489 0.87 MAPT (0.50) MAPTATML3MBTL1PDE5AALDH1A1
SCHEMBL8779414 0.85 MEN1 (0.54) MAPTL3MBTL1TSHRPDE5AALDH1A1
SCHEMBL8779425 0.83 GAA (0.51) MAPTL3MBTL1TSHRPDE5AALDH1A1
SCHEMBL8779416 0.82 PDE5A (0.45) MAPTL3MBTL1TSHRPDE5AALDH1A1
SCHEMBL8779392 0.80 PDE10A (0.46) L3MBTL1PDE5AALDH1A1GAACYP1A2
SCHEMBL8779404 0.80 PDE5A (0.43) MAPTL3MBTL1TSHRPDE5AALDH1A1
SCHEMBL8779388 0.80 PDE5A (0.45) MAPTATML3MBTL1TSHRPDE5A
SCHEMBL8779574 0.80 MAPK1 (0.62) MAPTATML3MBTL1PDE5AALDH1A1
SCHEMBL8779457 0.78 SMN1; SMN2 (0.41) L3MBTL1PDE5AALDH1A1POLBCYP1A2
SCHEMBL9607741 0.78 BRD4 (0.40) MAPTL3MBTL1TSHRPDE5AALDH1A1

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
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 MAPT 3067/4885ATM 2730/4885L3MBTL1 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.