SCHEMBL2994940

SCHEMBL2994940

CCOc1cc([N+](=O)[O-])c(C=O)cc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 9/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PRKDC P78527 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
CCR6 P51684 1/20 0.40
MCL1 Q07820 1/20 0.40
ERN1 O75460 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
SCHEMBL2991343 0.81 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL5424403 0.79 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1609308 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2072748 0.76 MAPT (0.52) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL11555487 0.74 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL29615996 0.74 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL22835830 0.74 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2994172 0.71 ERN1 (0.46) ALDH1A1ERN1
SCHEMBL1608774 0.71 ALDH1A1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL1414122 0.71 NPC1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240472-B1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-11-21 EP disclosed
EP-2240472-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2010-10-20 EP disclosed
US-7786116-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-31 US disclosed
US-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2009-09-10 US disclosed
WO-2009097401-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 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-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 4048/4885MAPT 57/4885KDM4E 2854/4885

“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.