SCHEMBL1999254

SCHEMBL1999254

O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP6 P55212 2/20 0.46
NSD2 O96028 1/20 0.46
GAA P10253 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GPR35 Q9HC97 2/20 0.39
VCAM1 P19320 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL11650920 0.86 CA12 (0.49) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL11521960 0.84 TSHR (0.42) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL10351830 0.84 NSD2 (0.53) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL11520955 0.84 TSHR (0.42) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL11521070 0.83 TSHR (0.41) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL10350683 0.80 NSD2 (0.53) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL596924 0.80 L3MBTL1 (0.53) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL11581091 0.79 CASP6 (0.53) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL3201792 0.78 ALDH1A1 (0.58) HPGDALDH1A1TDP1CASP6NSD2
SCHEMBL7898997 0.78 NSD2 (0.42) HPGDALDH1A1TDP1CASP6NSD2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9457054-B2 Method for using a Bacillus subtilis strain for prophylaxis and treatment of gastro-intestinal conditions BAYER CROPSCIENCE LP (US) 2016-10-04 US disclosed
EP-2547348-B1 METHOD FOR USING A BACILLUS SUBTILIS STRAIN FOR PROPHYLAXIS AND TREATMENT OF GASTRO-INTESTINAL CONDITIONS BAYER CROPSCIENCE LP (US) 2015-05-20 EP disclosed
EP-2547348-A1 METHOD FOR USING A BACILLUS SUBTILIS STRAIN FOR PROPHYLAXIS AND TREATMENT OF GASTRO-INTESTINAL CONDITIONS Agraquest, Inc. (US) 2013-01-23 EP disclosed
US-20120328571-A1 Method for Using a Bacillus Subtilis Strain for Prophylaxis and Treatment of Gastro-Intestinal Conditions AGRAQUEST, INC. (US) 2012-12-27 US disclosed
WO-2011116155-A1 METHOD FOR USING A BACILLUS SUBTILIS STRAIN FOR PROPHYLAXIS AND TREATMENT OF GASTRO-INTESTINAL CONDITIONS AGRAQUEST, INC. (US) 2011-09-22 WO disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
EP-2123277-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Meiji Seika Kaisha Ltd. (JP) 2009-11-25 EP disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-1956914-A2 THE USE OF BACILLUS PB6 FOR THE PROPHYLAXIS OR TREATMENT OF GASTROINTESTINAL AND IMMUNO-RELATED DISEASES KEMIN INDUSTRIES, INC. (US) 2008-08-20 EP disclosed
US-20080057047-A1 Use of bacillus amyloliquefaciens PB6 for the prophylaxis or treatment of gastrointestinal and immuno-related diseases BANK OF AMERICA, N.A., AS COLLATERAL AGENT 2008-03-06 US disclosed
EP-1185696-A1 ANTISENSE OLIGONUCLEOTIDE MODULATION OF HUMAN PROTEIN KINASE C-DELTA EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-03-13 EP disclosed
EP-1119643-A1 ANTISENSE OLIGONUCLEOTIDE MODULATION OF TUMOR NECROSIS FACTOR-$g(a) (TNF-$g(a)) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2001-08-01 EP disclosed
US-6258790-B1 Antisense modulation of integrin α4 expression ISIS PHARMACEUTICALS, INC. 2001-07-10 US disclosed
US-6235723-B1 DISEASES SENSITIVE TO TUMOR NECROSIS FACTOR; ANTIDIABETIC AGENTS, ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTITUMOR AGENT ISIS PHARMACEUTICALS , INC. 2001-05-22 US disclosed
US-6228642-B1 NUCLEOTIDE SEQUENCES; ANTIINFLAMMATORY/ANTIDIABETIC AGENTS; ANTIARTHRITIC AGENTS; TREATMENT OF HEPATITIS AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, CROHN'S DISEASE, PANCREATITIS, MULTIPLE SCLEROSIS, AND ATOPIC DERMATITIS ISIS PHARMACEUTICALS, INC. 2001-05-08 US disclosed
WO-2000070091-A1 ANTISENSE OLIGONUCLEOTIDE MODULATION OF HUMAN PROTEIN KINASE C-δ EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2000-11-23 WO disclosed
EP-0360848-B2 Use of a gold bath for the preparation of dental prosthesis WIELAND EDELMETALLE (DE) 2000-07-12 EP disclosed
US-6080580-A ANTIINFLAMMATORY/ANTIDIABETIC/ANTIARTHRITIC AGENTS; DIAGNOSIS AND THERAPY OF INFLAMMATION AND AUTOIMMUNE DISEASES; RHEUMATOID ARTHRITIS, CROHN'S DISEASE, PANCREATITIS, MULTIPLE SCLEROSIS, ATOPIC DERMATITIS, HEPATITIS ISIS PHARMACEUTICALS INC. (US) 2000-06-27 US disclosed
WO-2000020645-A1 ANTISENSE OLIGONUCLEOTIDE MODULATION OF TUMOR NECROSIS FACTOR-α (TNF-α) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed
US-5968826-A OLIGONUCLEOTIDE FROM 8 TO 30 NUCLEOBASES IN LENGTH; FOR ANTIMETASTASIS/ANTITUMOR/ANTIINFLAMMATORY/ANTIARTHRITIC AGENTS; DIAGNOSIS AND TREATMENT OF AUTOIMMUNE DISORDERS, CROHN'S DISEASE, MULTIPLE SCLEROSIS AND OTHERS ISIS PHARMACEUTICALS INC. (US) 1999-10-19 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-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HPGD 224/4885ALDH1A1 178/4885TDP1 1782/4885

“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.