SCHEMBL169338

SCHEMBL169338

O=C(O)Nc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
TSHR P16473 2/20 0.53
GPR35 Q9HC97 1/20 0.53
LMNA P02545 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
RAB9A P51151 3/20 0.47
CYP3A4 P08684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 2/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL169339 1.00 POLB (0.54) POLBTSHRGPR35LMNAKMT2A
SCHEMBL6205171 0.85 KMT2A (0.54) POLBTSHRGPR35LMNAKMT2A
SCHEMBL1247252 0.85 PKM (0.56) POLBTSHRGPR35LMNAKMT2A
SCHEMBL113558 0.84 MEN1 (0.71) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL175272 0.84 MEN1 (0.71) POLBLMNAKMT2AMEN1ALDH1A1
SCHEMBL4364384 0.83 CXCR2 (0.74) POLBTSHRLMNAKMT2AMEN1
SCHEMBL16831666 0.83 ALDH1A1 (0.60) POLBTSHRLMNAKMT2AMEN1
SCHEMBL16831668 0.83 ALDH1A1 (0.60) POLBTSHRLMNAKMT2AMEN1
SCHEMBL11551428 0.83 POLB (0.75) POLBTSHRLMNAKMT2AMEN1
SCHEMBL1554424 0.81 TDP1 (0.63) POLBTSHRLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334313-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2012-12-18 US disclosed
EP-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2011-06-02 US disclosed
US-7902241-B2 3-[3-(4-ISOPROPYLPHENYL)-2,5-DIOXO-IMIDAZOLIDIN-1-YL]- or 2-OXO-2,3-DIHYDROIMIDAZOL-1-YL]BENZOIC ACID; modulating premature translation termination and nonsense-mediated mRNA decay; gene therapy; cystic fibrosis or Duchenne muscular dystrophy; cancer, autoimmune disease, blood disease, diabetes PTC THERAPEUTICS, INC. (US) 2011-03-08 US disclosed
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS, INC. 2008-11-06 US disclosed
US-7405233-B2 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2008-07-29 US disclosed
US-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. 2006-07-27 US disclosed
EP-1542667-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC Therapeutics, Inc. (US) 2005-06-22 EP disclosed
WO-2004009558-A2 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS, THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASES CAUSED BY SUCH MUTATIONS PTC THERAPEUTICS, INC. (US) 2004-01-29 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-20060167065-A1 Ureido substituted benzoic acid compounds and their use for nonsense suppression and the treatment of disease UPF1, VHL, URB2 POLB 778/4885TSHR 3379/4885GPR35 2407/4885
US-20110130391-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 POLB 778/4885TSHR 3379/4885GPR35 2407/4885
US-20080275233-A1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE UPF1, VHL, URB2 POLB 778/4885TSHR 3379/4885GPR35 2407/4885

“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.