SCHEMBL2390327

SCHEMBL2390327

O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.76
TDP1 Q9NUW8 2/20 0.73
MAPT P10636 9/20 0.68
HPGD P15428 1/20 0.65
LMNA P02545 7/20 0.65
SLC6A9 P48067 1/20 0.61
SLC6A5 Q9Y345 1/20 0.61
SMN1; SMN2 Q16637 7/20 0.61
HTT P42858 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 3/20 0.58

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
SCHEMBL1846736 0.86 TDP1 (0.71) ALDH1A1TDP1MAPTHPGDLMNA
SCHEMBL1844184 0.86 TDP1 (0.71) ALDH1A1TDP1MAPTLMNASLC6A9
SCHEMBL2390062 0.86 TDP1 (0.71) ALDH1A1TDP1MAPTLMNASLC6A9
SCHEMBL2530426 0.85 ALDH1A1 (0.72) ALDH1A1MAPTHPGDLMNASLC6A9
SCHEMBL2530427 0.85 ALDH1A1 (0.72) ALDH1A1MAPTHPGDLMNASLC6A9
SCHEMBL27927947 0.85 ALDH1A1 (0.76) ALDH1A1MAPTHPGDLMNASLC6A9
SCHEMBL1841770 0.85 KMT2A (0.79) ALDH1A1TDP1MAPTHPGDLMNA
SCHEMBL1849301 0.84 TDP1 (1.00) ALDH1A1TDP1MAPTLMNASLC6A9
SCHEMBL1845390 0.84 LMNA (0.71) ALDH1A1TDP1MAPTLMNASLC6A9
SCHEMBL1843240 0.83 TDP1 (0.67) ALDH1A1TDP1MAPTLMNASLC6A9

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 6 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

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 1948/4885TDP1 228/4885MAPT 10/4885

“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.