SCHEMBL1844567

SCHEMBL1844567

O=C(NCc1ccccc1)c1cccc(-c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.64
CFD P00746 1/20 0.57
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
ERN1 O75460 1/20 0.54
HTR6 P50406 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SENP1 Q9P0U3 1/20 0.48
JAK2 O60674 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL12497115 0.93 APP (0.63) APPCFDEPHX2NR1H4ERN1
SCHEMBL1840592 0.91 APP (0.60) APPEPHX2NR1H4HTR6HDAC2
SCHEMBL12497236 0.90 APP (0.66) APPCFDHTR6CYP1A2CYP3A4
SCHEMBL7937816 0.90 APP (0.67) APPERN1HTR6CYP1A2CYP3A4
SCHEMBL1844781 0.89 APP (0.61) APPNR1H4HTR6HDAC2CYP1A2
SCHEMBL12497396 0.88 APP (0.65) APPERN1HTR6HDAC2CYP1A2
SCHEMBL12684795 0.88 APP (0.68) APPHTR6HDAC2CYP1A2CYP3A4
SCHEMBL30451059 0.85 CFD (0.61) CFDEPHX2NR1H4ERN1HDAC2
SCHEMBL12684717 0.85 APP (0.64) APPERN1HTR6CYP1A2CYP3A4
SCHEMBL12684715 0.83 APP (0.62) APPHTR6CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 US disclosed
US-20190050526-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2019-02-14 US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 US disclosed
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP 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-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
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
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 APP 3/4885CFD 4807/4885EPHX2 2914/4885

“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.