Sugi Predict

Sugi Predict / Compounds / SCHEMBL2075417

SCHEMBL2075417

SCHEMBL2075417

O=[N+]([O-])c1cc(F)c(Oc2ccccc2)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.43
▸ TTR P02766 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALB P02768 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PTGES O14684 1/20 0.43
▸ HSPB1 P04792 5/20 0.42
▸ HTR6 P50406 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MLNR O43193 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MMP1 P03956 1/20 0.39

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
SCHEMBL11185510 0.83 HPSE (0.50) HPSETTRMEN1KMT2AALB
SCHEMBL16792636 0.79 CYP1A2 (0.50) HPSETTRMEN1KMT2AALB
SCHEMBL2073645 0.78 TTR (0.39) HPSETTRMEN1KMT2AALB
SCHEMBL23529696 0.77 KDM4E (0.47) HPSETTRMEN1KMT2AALB
SCHEMBL2075313 0.77 KDM4E (0.47) HPSETTRMEN1KMT2AALB
SCHEMBL2073735 0.77 MAPT (0.50) HPSETTRMEN1KMT2AALB
SCHEMBL2073746 0.76 SNCA (0.46) TTRMEN1KMT2ATHRBTDP1
SCHEMBL12964082 0.75 TTR (0.41) TTRTDP1HPGDSLC6A4HIF1A
SCHEMBL12984320 0.74 MEN1 (0.47) HPSETTRMEN1KMT2AALB
SCHEMBL8523487 0.74 CYP19A1 (0.61) MEN1KMT2ACYP1A2CYP2C9SMN1; SMN2

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 6 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-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
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
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 HPSE 3791/4885TTR 4524/4885MEN1 992/4885

“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.