SCHEMBL1845563

SCHEMBL1845563

COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.68
ALDH1A1 P00352 11/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 3/20 0.68
MAPK1 P28482 2/20 0.68
RAB9A P51151 2/20 0.68
NPSR1 Q6W5P4 5/20 0.65
SIRT6 Q8N6T7 1/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2C9 P11712 4/20 0.63
CYP2C19 P33261 4/20 0.63
DCTPP1 Q9H773 3/20 0.63
HTT P42858 2/20 0.63
CYP1A2 P05177 2/20 0.61
HTR6 P50406 1/20 0.58
KMT2A Q03164 1/20 0.56

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
SCHEMBL1845525 0.92 ALDH1A1 (0.78) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1842031 0.90 DCTPP1 (0.78) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1843164 0.88 MAPT (0.68) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL30360208 0.88 MAPT (0.68) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1843480 0.88 MAPT (0.66) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1843205 0.87 MAPT (0.82) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL7937233 0.87 MAPT (0.78) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1844791 0.87 MAPT (0.81) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL1845809 0.86 DCTPP1 (0.81) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL1842360 0.86 MAPT (0.60) MAPTALDH1A1NPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed
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
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 10/4885ALDH1A1 1948/4885NPC1 41/4885

“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.