SCHEMBL3266479

SCHEMBL3266479

CCOc1cc(NC(C)=O)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
POLB P06746 3/20 0.60
HPGD P15428 2/20 0.60
LMNA P02545 2/20 0.60
GALR2 O43603 1/20 0.60
MITF O75030 1/20 0.60
HSP90AA1 P07900 1/20 0.60
XBP1 P17861 1/20 0.60
CCR6 P51684 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44

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
SCHEMBL8178217 0.87 AKR1C3 (0.53) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL28550137 0.85 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL3266352 0.84 LMNA (0.55) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL9721603 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL3828291 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL28493216 0.80 AKR1C3 (0.55) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL5967621 0.79 LMNA (0.43) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL28721663 0.79 TSHR (0.48) SMN1; SMN2ALDH1A1POLBLMNAGAA
SCHEMBL28720949 0.79 TSHR (0.68) SMN1; SMN2ALDH1A1POLBLMNAKMT2A
SCHEMBL11577236 0.79 MAPT (0.44) SMN1; SMN2POLBLMNANPSR1GAA

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
EP-1472213-B1 PROCESS FOR THE SYNTHESIS OF N-ACYL-2-AMINO-4-ALKOXY-5-NITROBENZOIC ACIDS WYETH LLC (US) 2010-06-09 EP disclosed
US-7294740-B2 Process for the synthesis of N-acyl-2-amino-4-alkoxy-5-nitrobenzoic acids WYETH (US) 2007-11-13 US disclosed
US-20070219394-A1 Process for the synthesis of N-acyl-2-amino-4-alkoxy-5-nitrobenzoic acids WYETH (US) 2007-09-20 US disclosed
US-7227037-B2 Process for the synthesis of N-nacyl-2-amino-4-alkoxy-5-nitrobenzoic acids WYETH (US) 2007-06-05 US disclosed
EP-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP disclosed
EP-1549297-A2 STABILIZED PHARMACEUTICAL COMPOSITION CONTAINING BASIC EXCIPIENTS Wyeth Holdings Corporation (US) 2005-07-06 EP disclosed
US-20050085662-A1 Process for the synthesis of nacyl-2-amino-4-alkoxy-5-nitrobenzoic acids WYETH (US) 2005-04-21 US disclosed
EP-1472213-A1 PROCESS FOR THE SYNTHESIS OF N-ACYL-2-AMINO-4-ALKOXY-5-NITROBENZOIC ACIDS Wyeth (US) 2004-11-03 EP disclosed
US-20040122048-A1 Stabilized pharmaceutical composition containing basic excipients WYETH HOLDINGS CORPORATION 2004-06-24 US disclosed
WO-2004032909-A2 STABILIZED PHARMACEUTICAL COMPOSITION CONTAINING BASIC EXCIPIENTS WYETH HOLDINGS CORPORATION (US) 2004-04-22 WO disclosed
WO-2003066575-A1 PROCESS FOR THE SYNTHESIS OF N-ACYL-2-AMINO-4-ALKOXY-5-NITROBENZOIC ACIDS WYETH (US) 2003-08-14 WO disclosed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP disclosed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US disclosed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 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 (3 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-20070219394-A1 Process for the synthesis of N-acyl-2-amino-4-alkoxy-5-nitrobenzoic acids NAAA, ARSA, ACMSD SMN1; SMN2 1470/4885ALDH1A1 1206/4885POLB 2167/4885
US-20050085662-A1 Process for the synthesis of nacyl-2-amino-4-alkoxy-5-nitrobenzoic acids NAAA, ACMSD, ASNS SMN1; SMN2 2190/4885ALDH1A1 1292/4885POLB 949/4885
US-20040122048-A1 Stabilized pharmaceutical composition containing basic excipients F7, H1-10, F12 SMN1; SMN2 3518/4885ALDH1A1 3199/4885POLB 3887/4885

“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.