SCHEMBL8776736

SCHEMBL8776736

COc1ccc(OC)c(-c2nc(-c3ncc4ccccc4n3)ccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DHFR P00374 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
SCHEMBL8776507 0.91 CRHR1 (0.43) KDM4EL3MBTL1MAPK1CYP2D6SMN1; SMN2
SCHEMBL8776714 0.90 KMT2A (0.39) KDM4EL3MBTL1MAPK1RECQLSMN1; SMN2
SCHEMBL3791644 0.89 CRHR1 (0.43) KDM4EL3MBTL1CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL8776768 0.88 NPC1 (0.46) KDM4EL3MBTL1MAPK1RECQLSMN1; SMN2
SCHEMBL8777029 0.88 L3MBTL1 (0.43) KDM4EL3MBTL1RECQLSMN1; SMN2ALDH1A1
SCHEMBL8776454 0.88 MAOA (0.42) KDM4EL3MBTL1MAPK1CYP2D6SMN1; SMN2
SCHEMBL8776831 0.87 ALDH1A1 (0.49) KDM4EMAPK1CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL8777134 0.85 ALDH1A1 (0.36) KDM4EL3MBTL1MAPK1RECQLCYP2D6
SCHEMBL8777316 0.84 MBNL1 (0.40) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8775546 0.84 L3MBTL1 (0.47) KDM4EL3MBTL1MAPK1RECQLCYP2D6

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 KDM4E 1794/4885L3MBTL1 3069/4885MAPK1 158/4885

“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.