SCHEMBL8776097

SCHEMBL8776097

COc1ccc(F)c(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 6/20 0.49
KDM1A O60341 1/20 0.41
CTSA P10619 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 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
SCHEMBL8775564 0.91 NPC1 (0.49) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8775996 0.88 PDE2A (0.40) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8775546 0.87 L3MBTL1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8775971 0.84 NPC1 (0.41) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8775432 0.84 MEN1 (0.47) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8776768 0.84 NPC1 (0.46) NPC1RAB9AKDM1ALMNAALDH1A1
SCHEMBL8776101 0.84 NPC1 (0.40) NPC1CTSANQO2CYP1A2
SCHEMBL8776037 0.84 L3MBTL1 (0.43) NPC1RAB9ACTSALMNAALDH1A1
SCHEMBL8776365 0.83 NPC1 (0.40) NPC1RAB9ALMNAALDH1A1SMN1; SMN2
SCHEMBL8775888 0.83 NPC1 (0.41) NPC1MAPTCYP1A2

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 346/4885RAB9A 814/4885KDM1A 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.