SCHEMBL8777598

SCHEMBL8777598

COc1ccccc1Oc1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 7/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPP1CA P62136 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8777583 0.90 L3MBTL1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL8777719 0.86 LMNA (0.47) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777613 0.86 MAPK1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL8777721 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777628 0.86 CYP1A2 (0.41) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL3792084 0.84 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777522 0.84 P2RX3 (0.41) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777524 0.83 L3MBTL1 (0.48) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777669 0.83 MAPT (0.46) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL8777505 0.82 LMNA (0.46) ALDH1A1L3MBTL1KMT2AMEN1NPSR1

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 1125/4885L3MBTL1 3069/4885KMT2A 2145/4885

“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.