SCHEMBL1844898

SCHEMBL1844898

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
HTT P42858 1/20 0.72
ALDH1A1 P00352 1/20 0.72
GAA P10253 3/20 0.70
PKM P14618 3/20 0.70
LMNA P02545 3/20 0.67
MAPK1 P28482 1/20 0.67
SIRT6 Q8N6T7 1/20 0.66
POLB P06746 2/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
HTR6 P50406 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL1844134 0.91 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1842697 0.91 MAPT (0.82) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1844140 0.89 MAPT (0.76) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1844602 0.89 MAPT (0.75) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1844612 0.88 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1843504 0.88 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1843743 0.88 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1842302 0.88 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1847428 0.86 MAPT (0.81) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1846141 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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 10/4885CYP1A2 4025/4885CYP3A4 4220/4885

“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.