SCHEMBL3782977

SCHEMBL3782977

COc1ccc(-c2ncccc2C)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
KDM4E B2RXH2 5/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP17A1 P05093 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL3785647 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10094711 0.86 NPC1 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16385286 0.86 CYP2A6 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL12818129 0.82 CYP2A6 (0.51) SQORCYP2A6
SCHEMBL16385163 0.82 NPC1 (0.45) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30103070 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL16473317 0.79 CYP2A6 (0.51) NPC1RAB9AMEN1KMT2ASQOR
SCHEMBL19876623 0.79 PDGFRB (0.55) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL17151138 0.79 S1PR1 (0.43) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL15674480 0.78 PDGFRB (0.48) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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 3 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
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 ALDH1A1 1125/4885SMN1; SMN2 3646/4885KDM4E 1794/4885

“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.