SCHEMBL2392063

SCHEMBL2392063

CC(Nc1cc(N2CCN(c3ccccc3C=O)CC2)ccc1[N+](=O)[O-])[C]1CCCCCCC1.[CH2].[CH2]

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.56
ALDH1A1 P00352 11/20 0.56
HTR6 P50406 2/20 0.55
CYP1A2 P05177 4/20 0.53
CYP2C9 P11712 4/20 0.53
CYP2C19 P33261 4/20 0.53
CYP3A4 P08684 1/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 3/20 0.51
RECQL P46063 1/20 0.51
HTT P42858 4/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL2391982 0.87 HTR6 (0.73) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2389705 0.81 MAPT (0.65) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2389087 0.80 MAPT (0.68) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2390186 0.79 L3MBTL1 (0.67) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL1846911 0.78 MAPT (0.67) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2390279 0.77 MEN1 (0.67) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2388575 0.77 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1846574 0.75 MAPT (0.69) MAPTALDH1A1HTR6CYP1A2CYP2C9
SCHEMBL2389106 0.75 MAPT (0.71) MAPTALDH1A1HTR6CYP1A2CYP2C9
Methane SCHEMBL18092532 0.74 MAPT (0.49) MAPTALDH1A1HTR6CYP1A2CYP2C9

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

“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.