SCHEMBL8779524

SCHEMBL8779524

COc1nc(-c2cccc(Cc3cccc(C)c3F)n2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
VDR P11473 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
AHR P35869 1/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
PKM P14618 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
SCHEMBL8779730 0.86 PDE10A (0.40) CYP1A2CYP3A4ALDH1A1HPGDCYP2C19
SCHEMBL3787489 0.81 MAPT (0.50) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779574 0.79 MAPK1 (0.62) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL3789630 0.77 CYP1A2 (0.36) CYP1A2L3MBTL1LMNAMEN1KMT2A
SCHEMBL8779414 0.72 MEN1 (0.54) CYP1A2MAPTALDH1A1NPSR1HPGD
SCHEMBL8779718 0.72 NR1I3 (0.48) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779320 0.72 NR1I3 (0.63) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779521 0.70 NR1I3 (0.46) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779415 0.70 MAPT (0.53) NR1I3CYP1A2CYP3A4VDRCYP2C9
SCHEMBL8779634 0.70 CYP1A2 (0.51) NR1I3CYP1A2CYP3A4VDRCYP2C9

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 NR1I3 1258/4885CYP1A2 18/4885CYP3A4 22/4885

“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.