SCHEMBL2393159

SCHEMBL2393159

O=Cc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.72
MAPT P10636 15/20 0.69
ALDH1A1 P00352 7/20 0.69
GAA P10253 3/20 0.69
HTT P42858 2/20 0.69
PKM P14618 2/20 0.68
POLB P06746 1/20 0.68
NPSR1 Q6W5P4 3/20 0.67
LMNA P02545 2/20 0.66
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
SIRT6 Q8N6T7 1/20 0.57

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
SCHEMBL2389106 0.90 MAPT (0.71) HTR6MAPTALDH1A1GAAHTT
SCHEMBL2483679 0.84 HTR6 (1.00) HTR6MAPTALDH1A1GAAHTT
SCHEMBL1848333 0.82 HTR6 (0.71) HTR6MAPTALDH1A1HTTNPSR1
SCHEMBL2481118 0.82 MAPT (1.00) HTR6MAPTALDH1A1GAAHTT
SCHEMBL2390186 0.82 L3MBTL1 (0.67) HTR6MAPTALDH1A1HTTNPSR1
SCHEMBL2393153 0.80 MAPT (1.00) HTR6MAPTALDH1A1GAAHTT
SCHEMBL1846574 0.80 MAPT (0.69) HTR6MAPTALDH1A1HTTNPSR1
SCHEMBL2390279 0.80 MEN1 (0.67) HTR6MAPTALDH1A1HTTNPSR1
SCHEMBL2392013 0.80 MAPT (0.71) HTR6MAPTALDH1A1GAAHTT
SCHEMBL2389087 0.79 MAPT (0.68) HTR6MAPTALDH1A1HTTNPSR1

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
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
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 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.