SCHEMBL1844593

SCHEMBL1844593

O=C(c1ccccc1)N1CCCCC1c1ccc([N+](=O)[O-])c(NCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
NPSR1 Q6W5P4 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 7/20 0.49
HTR6 P50406 2/20 0.48
SIRT6 Q8N6T7 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
SERPINE1 P05121 1/20 0.42
APP P05067 1/20 0.42
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL1844485 0.82 MAPT (0.58) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1844681 0.81 MAPT (0.54) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL28408689 0.76 ALDH1A1 (0.54) MAPTNPSR1CYP2C9CYP2C19ALDH1A1
SCHEMBL12497081 0.74 APP (0.58) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1843205 0.73 MAPT (0.82) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL12684711 0.73 APP (0.57) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL8596155 0.71 PARP14 (0.62) ALDH1A1L3MBTL1PARP14PARP10
SCHEMBL27943660 0.71 HTR6 (0.57) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1844939 0.71 MAPT (0.62) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL12684805 0.70 MAPT (0.74) MAPTNPSR1CYP1A2CYP2C9CYP2C19

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 10/4885NPSR1 717/4885CYP1A2 4025/4885

“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.