SCHEMBL8776714

SCHEMBL8776714

COc1ccc(C)cc1-c1nc(-c2ncc3ccccc3n2)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALPL P05186 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PPP1CA P62136 1/20 0.35

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
SCHEMBL8776736 0.90 KDM4E (0.49) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8777029 0.89 L3MBTL1 (0.43) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8776454 0.89 MAOA (0.42) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8776552 0.89 KDM4E (0.41) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL8776831 0.88 ALDH1A1 (0.49) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8776451 0.88 CYP1A2 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8777134 0.86 ALDH1A1 (0.36) MAOAMAOBALDH1A1SMN1; SMN2KDM4E
SCHEMBL8777316 0.85 MBNL1 (0.40) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8775725 0.85 MAOA (0.41) KMT2AMEN1MAOAMAOBALDH1A1
SCHEMBL8776597 0.84 CYP1A2 (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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 3 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
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 KMT2A 2145/4885MEN1 571/4885MAOA 737/4885

“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.