SCHEMBL8779883

SCHEMBL8779883

COc1ccc(-c2ncc3ccccc3n2)nc1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
CYP1A2 P05177 5/20 0.37
PDE10A Q9Y233 3/20 0.37
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3786388 0.83 CYP1A2 (0.40) SMN1; SMN2KDM4EALDH1A1CYP1A2STAT3
SCHEMBL8779812 0.78 L3MBTL1 (0.46) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8779764 0.78 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778396 0.77 LMNA (0.38) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778508 0.77 MAPT (0.47) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778366 0.76 CYP1A2 (0.38) SMN1; SMN2NPC1ALDH1A1RAB9ACYP1A2
SCHEMBL8779911 0.76 L3MBTL1 (0.56) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778854 0.74 CYP1A2 (0.39) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8778423 0.74 LMNA (0.41) SMN1; SMN2NPC1RAB9ACYP1A2HTT
SCHEMBL8778921 0.74 HTT (0.41) SMN1; SMN2CYP1A2STAT3HTTLMNA

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 SMN1; SMN2 3646/4885KDM4E 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.