SCHEMBL1844602

SCHEMBL1844602

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(NCc4ccccc4)cc3)CC2)cc1NCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.75
PKM P14618 3/20 0.75
GAA P10253 3/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 2/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
HTT P42858 1/20 0.75
ALDH1A1 P00352 1/20 0.75
SIRT6 Q8N6T7 1/20 0.68
HTR6 P50406 2/20 0.65
LMNA P02545 2/20 0.64
POLB P06746 2/20 0.61
RECQL P46063 1/20 0.61
BLM P54132 1/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
PTGDR Q13258 1/20 0.59

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
SCHEMBL1842697 0.95 MAPT (0.82) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1844974 0.94 MAPT (0.67) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1843504 0.91 MAPT (0.74) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1844134 0.91 MAPT (0.80) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1843743 0.91 MAPT (0.77) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1842302 0.91 MAPT (0.74) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1846087 0.89 MAPT (0.73) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1844971 0.89 MAPT (0.70) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1844898 0.89 MAPT (0.72) MAPTPKMGAACYP1A2CYP3A4
SCHEMBL1844140 0.89 MAPT (0.76) MAPTPKMGAACYP1A2CYP3A4

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 10/4885PKM 2910/4885GAA 38/4885

“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.