SCHEMBL7937816

SCHEMBL7937816

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.67
HTR6 P50406 2/20 0.53
MAPT P10636 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
SERPINE1 P05121 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
ERN1 O75460 1/20 0.47
AR P10275 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL12497396 0.91 APP (0.65) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684795 0.91 APP (0.68) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL7938312 0.90 APP (0.64) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL1844567 0.90 APP (0.64) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12497236 0.89 APP (0.66) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684717 0.88 APP (0.64) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL1844781 0.88 APP (0.61) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12497115 0.87 APP (0.63) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684715 0.86 APP (0.62) APPHTR6MAPTCYP1A2CYP3A4
SCHEMBL12684738 0.86 APP (0.62) APPHTR6MAPTCYP1A2CYP3A4

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
US-20140187556-A1 ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2014-07-03 US disclosed
US-20140187556-A1 ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2014-07-03 US 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
WO-2012119035-A1 ANTI-AMYLOID COMPOUNDS AND METHODS TREVENTIS CORPORATION (US) 2012-09-07 WO 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 (2 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 3/4885HTR6 1377/4885MAPT 10/4885
US-20140187556-A1 ANTI-AMYLOID COMPOUNDS AND METHODS APP, BACE1, PRNP APP 1/4885HTR6 2161/4885MAPT 11/4885

“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.