SCHEMBL995083

SCHEMBL995083

NC(=O)c1ccccc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
CTSD P07339 1/20 0.53
CDC7 O00311 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
BCAT2 O15382 1/20 0.52
SLC9A1 P19634 1/20 0.47
PLAU P00749 1/20 0.46
TSHR P16473 1/20 0.45
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPIA P62937 1/20 0.43
EIF4E P06730 1/20 0.43

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
SCHEMBL29950282 1.00 LMNA (0.54) LMNAMAPTHTTCTSDCDC7
SCHEMBL27705000 0.86 KEAP1 (0.51) LMNAMAPTHTTCTSDCDC7
SCHEMBL115478 0.85 CTSD (0.65) LMNAMAPTHTTCTSDALDH1A1
SCHEMBL10766788 0.85 CTSD (0.65) LMNAMAPTHTTCTSDALDH1A1
SCHEMBL10752700 0.84 ALDH1A1 (0.51) LMNAMAPTALDH1A1TDP1TSHR
SCHEMBL2362519 0.84 CDC7 (0.46) LMNAMAPTHTTCTSDCDC7
SCHEMBL4439669 0.84 TSHR (0.59) LMNAMAPTHTTCTSDALDH1A1
Hydrochloric Acid SCHEMBL10550781 0.83 CTSD (0.62) LMNAMAPTHTTCTSDALDH1A1
Hydrochloric Acid SCHEMBL8025084 0.83 CTSD (0.62) LMNAMAPTHTTCTSDALDH1A1
SCHEMBL15741933 0.82 TSHR (0.54) LMNAMAPTHTTCTSDCDC7

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
CN-115108930-A Synthetic method and application of aminophenyl benzamide compound 合肥工业大学 2022-09-27 CN claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS LMNA 575/4885MAPT 2484/4885HTT 352/4885

“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.