SCHEMBL7937307

SCHEMBL7937307

O=C(Nc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
MAPT P10636 11/20 0.65
NPSR1 Q6W5P4 5/20 0.63
LMNA P02545 2/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 3/20 0.60
DCTPP1 Q9H773 6/20 0.59
RECQL P46063 1/20 0.57
MEN1 O00255 2/20 0.54
POLB P06746 2/20 0.54
MITF O75030 1/20 0.54
S1PR4 O95977 1/20 0.54
S1PR1 P21453 1/20 0.54
PAX8 Q06710 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SIRT6 Q8N6T7 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL1840936 0.90 ALDH1A1 (0.64) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL3119843 0.89 MAPT (0.62) ALDH1A1MAPTNPSR1MAPK1KMT2A
SCHEMBL2389697 0.88 MAPT (0.66) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL2483750 0.88 SIRT6 (0.67) ALDH1A1MAPTMAPK1RECQLSMN1; SMN2
SCHEMBL1842941 0.87 ALDH1A1 (0.66) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL1846909 0.86 DCTPP1 (0.74) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL12497325 0.85 MAPT (0.67) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL1846449 0.85 DCTPP1 (0.81) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL1843205 0.84 MAPT (0.82) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL12497103 0.84 DCTPP1 (0.69) ALDH1A1MAPTNPSR1LMNAMAPK1

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
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-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
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 10/4885NPSR1 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.