SCHEMBL2390047

SCHEMBL2390047

O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.67
SLC6A9 P48067 4/20 0.64
MAPT P10636 4/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 2/20 0.58
NPY2R P49146 1/20 0.57
ALDH1A1 P00352 4/20 0.55
SLC6A5 Q9Y345 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
PAX8 Q06710 1/20 0.53
GPR174 Q9BXC1 1/20 0.53
SERPINE1 P05121 1/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL20569350 0.87 SLC6A9 (0.58) TDP1SLC6A9MAPTHTTALDH1A1
SCHEMBL2390062 0.85 TDP1 (0.71) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL2390327 0.83 ALDH1A1 (0.76) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL1844184 0.82 TDP1 (0.71) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL1846736 0.82 TDP1 (0.71) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL19212191 0.81 SLC6A9 (0.53) TDP1SLC6A9MAPTALDH1A1SMN1; SMN2
SCHEMBL1845390 0.81 LMNA (0.71) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL1849301 0.81 TDP1 (1.00) TDP1SLC6A9MAPTNPSR1HTT
SCHEMBL28239091 0.80 SLC6A9 (0.53) SLC6A9MAPTALDH1A1SLC6A5SMN1; SMN2
SCHEMBL30890284 0.80 LMNA (0.65) SLC6A9MAPTALDH1A1SLC6A5SMN1; SMN2

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 6 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
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

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 TDP1 228/4885SLC6A9 4630/4885MAPT 10/4885

“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.