SCHEMBL8776507

SCHEMBL8776507

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TP53 P04637 2/20 0.40
ALPL P05186 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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 0.91 KDM4E (0.49) MEN1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL3791644 0.91 CRHR1 (0.43) CRHR1MEN1KMT2AKDM4EPOLB
SCHEMBL8776686 0.88 MAOA (0.40) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL8776831 0.87 ALDH1A1 (0.49) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8776768 0.86 NPC1 (0.46) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL8777316 0.84 MBNL1 (0.40) MEN1KMT2AKDM4EPOLBMAPT
SCHEMBL8775432 0.84 MEN1 (0.47) CRHR1MEN1KMT2AKDM4EPOLB
SCHEMBL17653985 0.83 MEN1 (0.48) CRHR1MEN1KMT2AKDM4EPOLB
SCHEMBL30900832 0.83 MEN1 (0.48) CRHR1MEN1KMT2AKDM4EPOLB
SCHEMBL8777221 0.83 NPC1 (0.47) KDM4EMAPTSMN1; SMN2ALDH1A1LMNA

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 CRHR1 4664/4885MEN1 571/4885KMT2A 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.