SCHEMBL2389697

SCHEMBL2389697

CNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.66
ALDH1A1 P00352 10/20 0.66
NPSR1 Q6W5P4 4/20 0.64
KMT2A Q03164 1/20 0.64
DCTPP1 Q9H773 6/20 0.63
LMNA P02545 1/20 0.63
MAPK1 P28482 1/20 0.63
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
HPGD P15428 1/20 0.62
RECQL P46063 1/20 0.60
POLB P06746 1/20 0.60
CYP3A4 P08684 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56

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 0.89 ALDH1A1 (0.64) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1846449 0.88 DCTPP1 (0.81) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL12497325 0.88 MAPT (0.67) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL7937307 0.88 ALDH1A1 (0.65) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1842941 0.88 ALDH1A1 (0.66) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1846909 0.87 DCTPP1 (0.74) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1842475 0.86 DCTPP1 (0.69) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1842071 0.86 ALDH1A1 (0.69) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1844111 0.85 MAPT (0.80) MAPTALDH1A1NPSR1KMT2ADCTPP1
SCHEMBL1842199 0.85 ALDH1A1 (0.68) MAPTALDH1A1NPSR1KMT2ADCTPP1

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 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.