SCHEMBL8776017

SCHEMBL8776017

COc1cc(F)ccc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CCNT1 O60563 4/20 0.42
CDK9 P50750 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA7 P36544 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
EGFR P00533 1/20 0.40
CNR1 P21554 1/20 0.39
GRM5 P41594 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 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
SCHEMBL8775539 0.91 L3MBTL1 (0.47) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8775247 0.87 ALDH1A1 (0.46) L3MBTL1MEN1ALDH1A1HTTKMT2A
SCHEMBL8776337 0.87 L3MBTL1 (0.41) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8775432 0.87 MEN1 (0.47) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776077 0.85 MAOA (0.44) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776686 0.84 MAOA (0.40) KCNH2L3MBTL1CCNT1CDK9MEN1
SCHEMBL3794048 0.84 AR (0.39) KCNH2L3MBTL1MEN1ALDH1A1HTT
SCHEMBL8775365 0.84 L3MBTL1 (0.43) L3MBTL1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8777439 0.83 L3MBTL1 (0.47) L3MBTL1MEN1ALDH1A1HTTPPP1CA
SCHEMBL8776032 0.83 CHEK2 (0.40) L3MBTL1MEN1ALDH1A1KMT2AGRM5

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 KCNH2 767/4885L3MBTL1 3069/4885CCNT1 1703/4885

“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.