SCHEMBL2389164

SCHEMBL2389164

Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL1846738 0.85 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL1849303 0.83 TDP1 (0.61) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL6977707 0.82 MAPT (0.62) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2390332 0.82 ALDH1A1 (0.68) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2390066 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2390050 0.78 ALDH1A1 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL2389159 0.77 TDP1 (0.72) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL28775961 0.75 ALDH1A1 (0.56) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL1969786 0.75 ALDH1A1 (0.71) ALDH1A1LMNAMAPTSMN1; SMN2GAA
SCHEMBL28032257 0.73 ALDH1A1 (0.76) ALDH1A1LMNAMAPTSMN1; 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 ALDH1A1 1948/4885LMNA 528/4885MAPT 10/4885

“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.