SCHEMBL3787309

SCHEMBL3787309

COc1ccc(-c2nc(-c3ncc4ccccc4n3)ccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 2/20 0.43
SYK P43405 2/20 0.43
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL8779812 0.91 L3MBTL1 (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8779778 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8779846 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8776948 0.88 NPC1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8775262 0.82 NPC1 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16404354 0.81 CYP1A2 (0.62) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8776736 0.80 KDM4E (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8776495 0.80 SMN1; SMN2 (0.54) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8777021 0.80 NPC1 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL8777221 0.79 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO claimed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO claimed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
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
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
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 1125/4885KDM4E 1794/4885NPC1 346/4885

“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.