SCHEMBL1844113

SCHEMBL1844113

O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.73
MAPT P10636 11/20 0.71
ALDH1A1 P00352 10/20 0.71
NPSR1 Q6W5P4 4/20 0.71
LMNA P02545 3/20 0.66
MAPK1 P28482 3/20 0.66
NPC1 O15118 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 2/20 0.66
DCTPP1 Q9H773 5/20 0.65
CYP3A4 P08684 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
HTT P42858 1/20 0.61
CYP1A2 P05177 1/20 0.58
SIRT6 Q8N6T7 1/20 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
SCHEMBL1844129 0.93 HTR6 (0.67) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1841808 0.93 ALDH1A1 (0.76) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL2762508 0.93 DCTPP1 (0.72) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1844975 0.93 DCTPP1 (0.78) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1843887 0.92 HTR6 (0.65) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1845644 0.92 HTR6 (0.65) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1842809 0.92 HTR6 (0.65) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1844422 0.91 ALDH1A1 (0.80) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1844857 0.91 HTR6 (0.66) HTR6MAPTALDH1A1NPSR1LMNA
SCHEMBL1843205 0.90 MAPT (0.82) HTR6MAPTALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed
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 HTR6 1377/4885MAPT 10/4885ALDH1A1 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.