SCHEMBL1845642

SCHEMBL1845642

CC(Nc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.71
MAPT P10636 11/20 0.71
RECQL P46063 1/20 0.71
HTT P42858 4/20 0.69
NPSR1 Q6W5P4 3/20 0.69
KDM4E B2RXH2 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.68
LMNA P02545 4/20 0.68
HTR6 P50406 2/20 0.66
HPGD P15428 1/20 0.62
KMT2A Q03164 3/20 0.61
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL1844111 0.92 MAPT (0.80) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1849593 0.91 ALDH1A1 (0.73) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1842808 0.90 ALDH1A1 (0.71) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1847634 0.90 ALDH1A1 (0.71) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1843885 0.90 ALDH1A1 (0.71) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1844856 0.88 MAPT (0.75) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL2388607 0.88 ALDH1A1 (0.69) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1841806 0.86 ALDH1A1 (0.75) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1846950 0.86 ALDH1A1 (0.67) ALDH1A1MAPTRECQLHTTNPSR1
SCHEMBL1843368 0.86 MAPT (0.73) ALDH1A1MAPTRECQLHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 US disclosed
US-20190050526-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2019-02-14 US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 US disclosed
CN-102170882-B Compositions and methods of treating amyloid disease TREVENTIS CORP 2014-04-02 CN 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 ALDH1A1 1948/4885MAPT 10/4885RECQL 1123/4885

“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.