SCHEMBL1840592

SCHEMBL1840592

O=C(NCc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.60
EGFR P00533 2/20 0.55
ROCK2 O75116 1/20 0.53
RPS6KA5 O75582 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
PRKACA P17612 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
AKT1 P31749 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCD Q05655 1/20 0.53
PRKG2 Q13237 1/20 0.53
ROCK1 Q13464 1/20 0.53
DYRK1A Q13627 1/20 0.53
PRKG1 Q13976 1/20 0.53
PKN2 Q16513 1/20 0.53
CDC42BPA Q5VT25 1/20 0.53

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
SCHEMBL1844567 0.91 APP (0.64) APPEGFRMAP4K4PRKCGROCK1
SCHEMBL7938312 0.89 APP (0.64) APPHTR6CYP1A2CYP3A4CYP2C19
SCHEMBL1841977 0.89 APP (0.58) APPMAPK1HDAC1HTR6HDAC3
SCHEMBL15424101 0.87 APP (0.64) APPHTR6CYP1A2CYP3A4CYP2C19
SCHEMBL30451611 0.85 HDAC1 (0.60) EGFRROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL1842989 0.84 CHRNB2 (0.57) APPHTR6CYP1A2CYP3A4CYP2C19
SCHEMBL12497115 0.84 APP (0.63) APPMAPK1EPHX2NR1H4HTR6
SCHEMBL7937816 0.82 APP (0.67) APPHTR6CYP1A2CYP3A4CYP2C19
SCHEMBL12497236 0.81 APP (0.66) APPMAPK1HTR6CYP1A2CYP3A4
SCHEMBL12497396 0.81 APP (0.65) APPROCK2MAP4K4MAPK1GSK3B

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 3/4885EGFR 4686/4885ROCK2 2955/4885

“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.