SCHEMBL8775540

SCHEMBL8775540

COc1ccc(-c2cccc(-c3ncc4ccccc4n3)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 3/20 0.49
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.42
PDE10A Q9Y233 1/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 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
SCHEMBL20473332 0.89 ALDH1A1 (0.48) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8775711 0.89 KDM4E (0.63) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8775925 0.88 S1PR1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8775655 0.87 NPC1 (0.50) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8775976 0.86 SMN1; SMN2 (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8775529 0.85 CYP1A2 (0.45) NPC1ALDH1A1RAB9AKDM4EPDGFRB
SCHEMBL3785974 0.84 ALDH1A1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL29360950 0.84 ALDH1A1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8776069 0.84 CYP1A2 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8776337 0.82 L3MBTL1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2KDM4E

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 346/4885ALDH1A1 1125/4885RAB9A 814/4885

“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.