SCHEMBL8777439

SCHEMBL8777439

COc1cc(F)ccc1Oc1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL8777447 0.90 LMNA (0.41) L3MBTL1ALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL8777583 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8775539 0.83 L3MBTL1 (0.47) L3MBTL1ABCG2ALDH1A1SMN1; SMN2MEN1
SCHEMBL8776017 0.83 KCNH2 (0.45) L3MBTL1ALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL8777438 0.82 MAP4K4 (0.45) L3MBTL1ALDH1A1MEN1HTTKMT2A
SCHEMBL8777452 0.80 MAP4K4 (0.47) L3MBTL1ALDH1A1MEN1HTTKMT2A
SCHEMBL8777404 0.80 KMT2A (0.52) L3MBTL1ALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL3787255 0.80 MAP4K4 (0.45) L3MBTL1ALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL8778873 0.79 CYP1A2 (0.44) L3MBTL1ALDH1A1SMN1; SMN2MEN1HTT
SCHEMBL8777441 0.78 CYP1A2 (0.43) ALDH1A1SMN1; SMN2HTTKDM4ENPC1

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
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 L3MBTL1 3069/4885ABCG2 603/4885ALDH1A1 1125/4885

“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.