SCHEMBL7937323

SCHEMBL7937323

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.65
MAPT P10636 14/20 0.65
GAA P10253 4/20 0.65
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
ALDH1A1 P00352 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
PTGDR Q13258 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 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
SCHEMBL1841147 0.94 MAPT (0.61) PKMMAPTGAAKMT2AMEN1
SCHEMBL1844589 0.88 MAPT (0.72) PKMMAPTGAAKMT2AMEN1
SCHEMBL1842697 0.84 MAPT (0.82) PKMMAPTGAAKMT2AMEN1
SCHEMBL1845227 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL1842394 0.82 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1NPSR1
SCHEMBL1843529 0.82 MAPT (0.81) PKMMAPTGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL1845124 0.81 MAPT (0.69) MAPTKMT2AMEN1ALDH1A1CYP2C9
SCHEMBL1844602 0.81 MAPT (0.75) PKMMAPTGAAKMT2AMEN1
SCHEMBL1842926 0.80 HTR6 (0.69) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL1844193 0.80 MAPT (0.74) PKMMAPTKMT2AMEN1ALDH1A1

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 7 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
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
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 PKM 2910/4885MAPT 10/4885GAA 38/4885

“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.