SCHEMBL8775725

SCHEMBL8775725

COc1ccc(C)cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM5 P41594 1/20 0.41
KMT2A Q03164 6/20 0.40
ALPL P05186 2/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
PPP1CA P62136 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 5/20 0.38
RPS6KA2 Q15349 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP2C9 P11712 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
SCHEMBL8776006 0.88 KDM4E (0.43) ALDH1A1L3MBTL1GAAMAPTTDP1
SCHEMBL8775546 0.88 L3MBTL1 (0.47) KMT2AALPLALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8775539 0.87 L3MBTL1 (0.47) MAOAMAOBKMT2AALDH1A1SMN1; SMN2
SCHEMBL8775805 0.87 ALDH1A1 (0.44) MAOAMAOBKMT2AALPLALDH1A1
SCHEMBL8775247 0.86 ALDH1A1 (0.46) MAOAMAOBKMT2AALDH1A1SMN1; SMN2
SCHEMBL8776285 0.85 MEN1 (0.40) MAOAMAOBKMT2AALDH1A1SMN1; SMN2
SCHEMBL8776714 0.85 KMT2A (0.39) MAOAMAOBGRM5KMT2AALPL
SCHEMBL3786375 0.85 CYP1A2 (0.40) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL8776332 0.84 ALDH1A1 (0.40) MAOAMAOBKMT2AALDH1A1SMN1; SMN2
SCHEMBL8776413 0.83 MEN1 (0.40) MAOAMAOBKMT2AALDH1A1SMN1; SMN2

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 MAOA 737/4885MAOB 1067/4885GRM5 2204/4885

“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.