SCHEMBL2390332

SCHEMBL2390332

O=Cc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.68
HPGD P15428 1/20 0.68
MAPT P10636 8/20 0.64
LMNA P02545 5/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 2/20 0.64
GAA P10253 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
SLC6A9 P48067 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
ACHE P22303 1/20 0.48
CYP2D6 P10635 1/20 0.48
WDR5 P61964 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
SCHEMBL1846738 0.86 ALDH1A1 (0.57) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL2390066 0.86 ALDH1A1 (0.60) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL1849303 0.84 TDP1 (0.61) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL27927948 0.83 ALDH1A1 (0.67) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL2390050 0.83 ALDH1A1 (0.54) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL2389164 0.82 ALDH1A1 (0.53) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL6977707 0.80 MAPT (0.62) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6815260 0.78 GAA (0.69) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL2461666 0.77 ALDH1A1 (0.66) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL30464734 0.77 ALDH1A1 (0.66) ALDH1A1HPGDMAPTLMNASMN1; SMN2

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 1948/4885HPGD 1491/4885MAPT 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.