SCHEMBL2073735

SCHEMBL2073735

O=Cc1cc(Oc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 4/20 0.44
TTR P02766 2/20 0.44
ALB P02768 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
HSPB1 P04792 5/20 0.43
HPSE Q9Y251 1/20 0.41
HTR6 P50406 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
SCHEMBL10958896 0.82 KMT2A (0.53) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL16792636 0.80 CYP1A2 (0.50) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2072748 0.79 MAPT (0.52) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL2075417 0.77 HPSE (0.43) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL6159106 0.77 TLR4 (0.47) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL1133767 0.77 TLR4 (0.50) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL1094404 0.77 ALDH1A1 (0.56) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL12964084 0.74 LMNA (0.50) ALDH1A1KMT2ALMNAGAATTR
SCHEMBL12322919 0.73 ALDH1A1 (0.78) MAPTALDH1A1KDM4ECYP3A4HSD17B10
SCHEMBL1872393 0.73 CRHBP (0.45) MAPTALDH1A1KMT2ALMNAMEN1

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 MAPT 58/4885ALDH1A1 3765/4885KDM4E 2233/4885

“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.