SCHEMBL8777583

SCHEMBL8777583

COc1cc(F)ccc1Oc1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8777598 0.90 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777613 0.84 MAPK1 (0.43) L3MBTL1ALDH1A1NPC1SMN1; SMN2
SCHEMBL8777439 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777505 0.83 LMNA (0.46) L3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8776686 0.83 MAOA (0.40) L3MBTL1PKMALDH1A1KDM4ENPC1
SCHEMBL8776454 0.83 MAOA (0.42) L3MBTL1PKMALDH1A1KDM4ENPC1
SCHEMBL8777685 0.82 MAPT (0.42) L3MBTL1ALDH1A1KDM4E
SCHEMBL8777721 0.79 ALDH1A1 (0.48) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8777628 0.79 CYP1A2 (0.41) L3MBTL1ALDH1A1KDM4E
SCHEMBL8777719 0.79 LMNA (0.47) L3MBTL1ALDH1A1SMN1; 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 L3MBTL1 3069/4885PKM 3353/4885ALDH1A1 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.