SCHEMBL2389087

SCHEMBL2389087

CC(C)CNc1cc(N2CCN(c3ccccc3C=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.68
ALDH1A1 P00352 6/20 0.68
CYP1A2 P05177 5/20 0.68
CYP2C9 P11712 5/20 0.68
CYP2C19 P33261 5/20 0.68
HTT P42858 3/20 0.68
SIRT6 Q8N6T7 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
HTR6 P50406 4/20 0.51
CYP3A4 P08684 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2390186 0.89 L3MBTL1 (0.67) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2390279 0.87 MEN1 (0.67) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2389705 0.85 MAPT (0.65) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1846574 0.85 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2389106 0.85 MAPT (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2391982 0.83 HTR6 (0.73) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1848333 0.83 HTR6 (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1846911 0.81 MAPT (0.67) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2392013 0.81 MAPT (0.71) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2392063 0.80 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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 1948/4885CYP1A2 4025/4885

“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.