SCHEMBL1843232

SCHEMBL1843232

O=C(O)c1ccc(CNc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
L3MBTL1 Q9Y468 4/20 0.68
ALDH1A1 P00352 3/20 0.62
POLB P06746 1/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
SERPINE1 P05121 1/20 0.53
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
HCAR3 P49019 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7164868 0.88 MAPT (0.84) MAPTL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL102602 0.86 MAPT (0.77) MAPTL3MBTL1ALDH1A1HSD17B10MAPK1
SCHEMBL1841502 0.85 MAPT (0.56) MAPTL3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL9689325 0.85 MAPT (0.63) MAPTL3MBTL1ALDH1A1POLBHPGD
SCHEMBL992446 0.84 HCAR3 (0.68) MAPTL3MBTL1MEN1KMT2AGAA
SCHEMBL10055047 0.84 MAPT (0.73) MAPTL3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL3669346 0.83 MAPT (0.60) MAPTL3MBTL1ALDH1A1POLBSERPINE1
SCHEMBL7938312 0.83 APP (0.64) MAPTL3MBTL1ALDH1A1POLBHPGD
SCHEMBL1843975 0.82 ALDH1A1 (0.59) MAPTL3MBTL1ALDH1A1POLBMAPK1
SCHEMBL10360050 0.81 MAPT (0.73) MAPTL3MBTL1ALDH1A1POLBMAPK1

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-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
US-8420640-B2 Methods of treating amyloid disease using analogs of 1-(4-nitrophenyl) piperazine TREVENTIS CORPORATION (US) 2013-04-16 US disclosed
US-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE TREVENTIS CORPORATION 2011-09-08 US disclosed
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 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-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE PSEN1, PSEN2, APP MAPT 10/4885L3MBTL1 2682/4885ALDH1A1 1948/4885

“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.