SCHEMBL8082865

SCHEMBL8082865

O=c1c([N+](=O)[O-])cccn1Cc1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
RECQL P46063 1/20 0.67
MAPT P10636 5/20 0.54
THRB P10828 1/20 0.54
SOS1 Q07889 1/20 0.51
LMNA P02545 4/20 0.48
TP53 P04637 3/20 0.48
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
VEGFA P15692 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
HSP90AA1 P07900 1/20 0.44

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
SCHEMBL15804003 0.88 RECQL (0.74) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL1896629 0.84 GAA (0.53) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL15804000 0.83 RECQL (0.61) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL25434321 0.79 RECQL (0.55) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL21685620 0.76 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL16794652 0.76 RECQL (0.52) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL21684646 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL17603200 0.76 RECQL (0.55) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL
SCHEMBL8077068 0.76 MAPT (0.62) ALDH1A1SMN1; SMN2L3MBTL1MAPTTHRB
SCHEMBL13075102 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTL3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
WO-2009032277-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-03-12 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 ALDH1A1 1705/4885SMN1; SMN2 1223/4885HTT 1304/4885

“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.