SCHEMBL8776103

SCHEMBL8776103

Oc1ccc(F)cc1-c1cccc(-c2ncc3ccccc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
CYP1A2 P05177 3/20 0.39
KDM1A O60341 3/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
PRSS1 P07477 1/20 0.39
CHEK2 O96017 4/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHEK1 O14757 2/20 0.38
IDO1 P14902 2/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
F7 P08709 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL8776032 0.91 CHEK2 (0.40) NPC1CYP1A2CHEK2MAPTMAPK1
SCHEMBL8776037 0.87 L3MBTL1 (0.43) NPC1CYP1A2ALDH1A1L3MBTL1CASP3
SCHEMBL8776244 0.85 MEN1 (0.39) CYP1A2F2F10PLGPLAU
SCHEMBL8775608 0.85 ABL1 (0.40) CYP1A2
SCHEMBL8775365 0.84 L3MBTL1 (0.43) NPC1CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL8775741 0.84 CYP1A2 (0.44) CYP1A2IDO1MAPTF7MEN1
SCHEMBL8776809 0.82 CHEK2 (0.38) NPC1CYP1A2CHEK2CHEK1IDO1
SCHEMBL3794048 0.82 AR (0.39) NPC1CYP1A2MAPTMEN1ALDH1A1
SCHEMBL8775539 0.81 L3MBTL1 (0.47) NPC1CYP1A2MAPK1MEN1ALDH1A1
SCHEMBL8776258 0.81 CYP1A2 (0.39) NPC1CYP1A2L3MBTL1CASP3SENP8

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 NPC1 346/4885CYP1A2 18/4885KDM1A 529/4885

“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.