SCHEMBL1844485

SCHEMBL1844485

O=C(c1ccccc1)N1CCC(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
ALDH1A1 P00352 8/20 0.58
NPSR1 Q6W5P4 3/20 0.58
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
HTR6 P50406 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
HTT P42858 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47

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
SCHEMBL1844681 0.89 MAPT (0.54) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL1843205 0.82 MAPT (0.82) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL1844593 0.82 MAPT (0.55) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL12497081 0.78 APP (0.58) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL12684711 0.77 APP (0.57) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL12497319 0.76 SIRT6 (0.60) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1844591 0.76 MAPT (0.73) MAPTALDH1A1NPSR1LMNAMAPK1
SCHEMBL12684716 0.76 MAPT (0.60) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL12684712 0.76 APP (0.58) MAPTALDH1A1NPSR1LMNACYP1A2
SCHEMBL1845787 0.76 MAPT (0.73) MAPTALDH1A1NPSR1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.