SCHEMBL1844971

SCHEMBL1844971

CC(Nc1cc(N2CCN(S(=O)(=O)c3ccc(NCc4ccccc4)cc3)CC2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.70
ALDH1A1 P00352 10/20 0.70
NPSR1 Q6W5P4 5/20 0.70
KMT2A Q03164 3/20 0.69
MAPK1 P28482 1/20 0.66
HTR6 P50406 1/20 0.62
HTT P42858 4/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
GAA P10253 3/20 0.61
PKM P14618 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.56
SIRT6 Q8N6T7 1/20 0.56
PTGDR Q13258 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
SCHEMBL1843529 0.90 MAPT (0.81) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1844602 0.89 MAPT (0.75) MAPTALDH1A1NPSR1KMT2AHTR6
SCHEMBL1843808 0.87 MAPT (0.77) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1841589 0.86 MAPT (0.76) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1846313 0.86 MAPT (0.76) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1844114 0.86 MAPT (0.76) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1844974 0.84 MAPT (0.67) MAPTALDH1A1NPSR1KMT2AHTR6
SCHEMBL1841395 0.84 MAPT (0.73) MAPTALDH1A1NPSR1KMT2AMAPK1
SCHEMBL1842697 0.84 MAPT (0.82) MAPTALDH1A1NPSR1KMT2AHTR6
SCHEMBL1846621 0.84 MAPT (0.75) MAPTALDH1A1NPSR1KMT2AMAPK1

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
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
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

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.