SCHEMBL2391982

SCHEMBL2391982

CC(Nc1cc(N2CCN(c3ccccc3C=O)CC2)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.73
MAPT P10636 13/20 0.72
ALDH1A1 P00352 10/20 0.72
SMN1; SMN2 Q16637 2/20 0.68
HPGD P15428 1/20 0.68
KMT2A Q03164 2/20 0.68
NPSR1 Q6W5P4 3/20 0.67
RECQL P46063 1/20 0.67
HTT P42858 4/20 0.65
MAPK1 P28482 2/20 0.65
KDM4E B2RXH2 1/20 0.65
LMNA P02545 1/20 0.64
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
SIRT6 Q8N6T7 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL2392063 0.87 MAPT (0.56) HTR6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL27953828 0.87 HTR6 (0.80) HTR6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2389705 0.84 MAPT (0.65) HTR6MAPTALDH1A1HPGDKMT2A
SCHEMBL2484135 0.84 HTR6 (1.00) HTR6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2389087 0.83 MAPT (0.68) HTR6MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL27953827 0.82 MAPT (0.85) HTR6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL2390186 0.82 L3MBTL1 (0.67) HTR6MAPTALDH1A1KMT2ANPSR1
SCHEMBL2483491 0.81 SMN1; SMN2 (1.00) HTR6MAPTALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1748355 0.81 SMN1; SMN2 (0.98) HTR6MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL1846911 0.81 MAPT (0.67) HTR6MAPTALDH1A1SMN1; SMN2HPGD

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 5 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-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

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 HTR6 1377/4885MAPT 10/4885ALDH1A1 1948/4885

“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.