SCHEMBL1845491

SCHEMBL1845491

O=[N+]([O-])c1cc(N2CCNCC2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.59
POLB P06746 3/20 0.56
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
MAPT P10636 8/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
LRRK2 Q5S007 1/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3049503 0.86 MAPT (0.59) POLBMAPTNPSR1LRRK2ALDH1A1
SCHEMBL2762828 0.86 POLB (0.56) HTR6POLBMAPTNPSR1CTSV
SCHEMBL7940000 0.81 ALDH1A1 (0.57) POLBMAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL4802434 0.81 KMT2A (0.56) POLBMAPTNPSR1SMN1; SMN2HTT
SCHEMBL4802423 0.81 KMT2A (0.56) POLBMAPTNPSR1SMN1; SMN2HTT
SCHEMBL2767207 0.79 SLC6A4 (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2766477 0.79 HTR1A (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL11303513 0.79 MAPT (0.60) HTR6POLBHTR1AMAPTRECQL
Hydrochloric Acid SCHEMBL8888785 0.78 HTR1A (0.61) HTR6POLBHTR1ASLC6A2SLC6A4
SCHEMBL19381516 0.77 HTR1A (0.67) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP 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-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
US-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE TREVENTIS CORPORATION 2011-09-08 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
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 HTR6 1377/4885POLB 2269/4885HTR1A 1357/4885

“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.