SCHEMBL3635385

SCHEMBL3635385

CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
GAA P10253 3/20 0.65
HPGD P15428 2/20 0.65
GPR35 Q9HC97 1/20 0.50
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 8/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 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
SCHEMBL28836799 0.91 GPR35 (0.55) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL1285514 0.85 MAPT (0.56) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL6488967 0.85 ALDH1A1 (0.49) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL12225198 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL29722774 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDLMNASMN1; SMN2
SCHEMBL27883929 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL1632654 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDLMNASMN1; SMN2
SCHEMBL405926 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDGPR35LMNA
SCHEMBL3300905 0.84 ALDH1A1 (0.48) ALDH1A1GAAHPGDLMNASMN1; SMN2
SCHEMBL638498 0.83 TSHR (0.54) ALDH1A1GAAHPGDLMNAMAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN claimed
US-4540817-A Process for the preparation of 5-amino-2,4-dimethylacetanilide BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US claimed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 EP claimed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 EP claimed
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN disclosed
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN disclosed
CN-114621111-A Mild synthesis method of 4-acetamido-5-nitro-m-xylene 李期林 2022-06-14 CN disclosed
CN-101679299-A Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 NOVARTIS AG 2010-03-24 CN disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO disclosed
US-4540817-A Process for the preparation of 5-amino-2,4-dimethylacetanilide BAYER AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0054809-B1 PROCESS FOR THE PREPARATION OF 5-AMINO-2,4 DIMETHYLACETANILIDE BAYER AG (DE) 1984-05-23 EP disclosed
EP-0054809-A1 Process for the preparation of 5-amino-2,4 dimethylacetanilide BAYER AG (DE) 1982-06-30 EP 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 ALDH1A1 45/4885GAA 597/4885HPGD 536/4885

“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.