SCHEMBL8779307

SCHEMBL8779307

COc1ccc2nc(-c3ccc(C)c(-c4ccccc4)n3)nc(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP1A2 P05177 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2C9 P11712 4/20 0.44

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
SCHEMBL26858214 0.86 KMT2A (0.56) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8779400 0.82 NPC1 (0.50) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3787452 0.82 PDE10A (0.54) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL6121711 0.77 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL28642124 0.77 KDM4E (0.55) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL24393204 0.76 AURKA (0.58) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20273439 0.76 ABCG2 (0.57) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL12318278 0.75 DHODH (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL28477456 0.74 KDM4E (0.50) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8779739 0.74 ABCG2 (0.49) KDM4ESMN1; SMN2ALDH1A1L3MBTL1HPGD

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 1794/4885SMN1; SMN2 3646/4885KMT2A 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.