SCHEMBL2991343

SCHEMBL2991343

O=Cc1cc(-c2ccccc2F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
ERN1 O75460 5/20 0.41
MAPK1 P28482 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HIF1A Q16665 3/20 0.38
TP53 P04637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT6 P42226 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38

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
SCHEMBL2994172 0.81 ERN1 (0.46) ALDH1A1ERN1TDP1ATMSOS1
SCHEMBL2994940 0.81 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL1094404 0.80 ALDH1A1 (0.56) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL1414122 0.77 NPC1 (0.47) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL13418991 0.75 TDP1 (0.59) ALDH1A1MAPTCYP3A4HSD17B10MAPK1
SCHEMBL30766458 0.72 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4ERN1MAPK1
SCHEMBL2073735 0.72 MAPT (0.50) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL18370780 0.72 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL32665668 0.72 XDH (0.50) ALDH1A1MAPTCYP3A4HSD17B10KDM4E
SCHEMBL1999504 0.72 MAPT (0.49) ALDH1A1MAPTCYP3A4HSD17B10KDM4E

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 57/4885CYP3A4 2967/4885

“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.