SCHEMBL8779846

SCHEMBL8779846

COc1ccc(-c2ncc3ccccc3n2)nc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
PPP1CA P62136 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
TDO2 P48775 2/20 0.40
IDO1 P14902 1/20 0.40
ABCG2 Q9UNQ0 5/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL8779812 0.90 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3787309 0.89 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8779778 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8776954 0.84 CYP1A2 (0.48) SMN1; SMN2NPC1CYP1A2HTTABCG2
SCHEMBL8776454 0.81 MAOA (0.42) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3785974 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29360950 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8777021 0.79 NPC1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8776495 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8776686 0.78 MAOA (0.40) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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 ALDH1A1 1125/4885SMN1; SMN2 3646/4885KDM4E 1794/4885

“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.