SCHEMBL1845787

SCHEMBL1845787

O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.73
ALDH1A1 P00352 9/20 0.73
NPSR1 Q6W5P4 4/20 0.73
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
SIRT6 Q8N6T7 1/20 0.66
DCTPP1 Q9H773 4/20 0.65
HTR6 P50406 1/20 0.63
HTT P42858 1/20 0.61
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
SERPINE1 P05121 1/20 0.59

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
SCHEMBL1843205 0.93 MAPT (0.82) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1846139 0.91 HTR6 (0.67) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1846585 0.91 MAPT (0.71) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1844791 0.91 MAPT (0.81) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1844591 0.91 MAPT (0.73) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1845809 0.90 DCTPP1 (0.81) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL20640023 0.89 MAPT (0.79) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL2389209 0.88 MAPT (0.70) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1842031 0.88 DCTPP1 (0.78) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1843801 0.88 MAPT (0.70) MAPTALDH1A1NPSR1CYP1A2CYP3A4

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 MAPT 10/4885ALDH1A1 1948/4885NPSR1 717/4885

“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.