SCHEMBL2073645

SCHEMBL2073645

O=[N+]([O-])c1c(CO)cc(Oc2ccccc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
HPSE Q9Y251 1/20 0.38
CYP19A1 P11511 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALB P02768 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MLNR O43193 1/20 0.36
LMNA P02545 1/20 0.36
MMP1 P03956 1/20 0.36
MPO P05164 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
SCHEMBL2075417 0.78 HPSE (0.43) TTRHPSECYP19A1MEN1KMT2A
SCHEMBL11185510 0.77 HPSE (0.50) TTRHPSECYP19A1MEN1KMT2A
SCHEMBL23292617 0.73 MAPT (0.53) TTRCYP19A1MEN1KMT2ATDP1
SCHEMBL1997338 0.69 TLR4 (0.46) TTRMEN1KMT2AALBTHRB
SCHEMBL5943918 0.69 MEN1 (0.47) TTRHPSECYP19A1MEN1KMT2A
SCHEMBL2075313 0.69 KDM4E (0.47) TTRHPSEMEN1KMT2AALB
SCHEMBL23529696 0.69 KDM4E (0.47) TTRHPSEMEN1KMT2AALB
SCHEMBL11387994 0.68 HRH1 (0.47) TTRCYP19A1TDP1ALDH1A1SLC6A4
SCHEMBL18956918 0.68 HSPB1 (0.44) TTRMEN1KMT2AALBTHRB
SCHEMBL18121904 0.68 TTR (0.56) TTRHPSEMEN1KMT2AALB

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
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 TTR 4524/4885HPSE 3791/4885CYP19A1 2966/4885

“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.