SCHEMBL7939694

SCHEMBL7939694

O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.81
ALDH1A1 P00352 11/20 0.81
NPSR1 Q6W5P4 4/20 0.81
CYP2C9 P11712 4/20 0.81
CYP2C19 P33261 4/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
LMNA P02545 3/20 0.79
CYP3A4 P08684 3/20 0.70
HTR6 P50406 2/20 0.67
MAPK1 P28482 1/20 0.65
GAA P10253 2/20 0.64
PKM P14618 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
DCTPP1 Q9H773 3/20 0.60
POLB P06746 1/20 0.57

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
SCHEMBL27690607 0.90 MAPT (1.00) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL1842281 0.88 MAPT (1.00) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL1846466 0.87 MAPT (0.82) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL27690606 0.83 MAPT (1.00) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL2389827 0.83 MAPT (0.75) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL2481065 0.82 MAPT (1.00) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL27710372 0.82 MAPT (0.82) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL1841546 0.82 MAPT (0.72) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL30360205 0.81 MAPT (0.71) MAPTALDH1A1NPSR1CYP2C9CYP2C19
SCHEMBL2388537 0.81 MAPT (0.71) MAPTALDH1A1NPSR1CYP2C9CYP2C19

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 9 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-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
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 1948/4885NPSR1 717/4885

“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.