SCHEMBL8779566

SCHEMBL8779566

COc1ccc(-c2nc(-c3nc(OC)c4ccccc4n3)ccc2C)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.48
NR1I3 Q14994 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
VDR P11473 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
AHR P35869 1/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL8779739 0.90 ABCG2 (0.49) ABCG2MAPTALDH1A1KDM4EHPGD
SCHEMBL3786521 0.88 ABCG2 (0.47) ABCG2NR1I3MAPTALDH1A1KDM4E
SCHEMBL8779590 0.84 MAPT (0.51) ABCG2NR1I3CYP1A2CYP3A4VDR
SCHEMBL3785974 0.82 ALDH1A1 (0.46) ABCG2CYP1A2MAPTALDH1A1KDM4E
SCHEMBL29360950 0.82 ALDH1A1 (0.46) ABCG2CYP1A2MAPTALDH1A1KDM4E
SCHEMBL3790573 0.78 GUSB (0.58) CYP1A2MAPTKDM4EMAPK1NPC1
SCHEMBL8816999 0.78 ABCG2 (0.47) ABCG2MAPTALDH1A1KDM4EHPGD
SCHEMBL326797 0.77 ABCG2 (0.57) ABCG2MAPTSMN1; SMN2TP53ABCB1
SCHEMBL30691836 0.77 PDGFRB (0.50) ABCG2MAPTALDH1A1KDM4EHPGD
SCHEMBL25082162 0.77 ABCG2 (0.58) ABCG2MAPTPOLBSMN1; SMN2TP53

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 ABCG2 603/4885NR1I3 1258/4885CYP1A2 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.