Sugi Predict

Sugi Predict / Compounds / SCHEMBL2637459

SCHEMBL2637459

SCHEMBL2637459

Cc1ccc(-c2ccc(C(=O)O)o2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.72
▸ MAPT P10636 4/20 0.72
▸ KDM4E B2RXH2 1/20 0.72
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ HPGD P15428 2/20 0.61
▸ PDE7A Q13946 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ LMNA P02545 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MAPK1 P28482 2/20 0.50
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NTSR1 P30989 1/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7828440 0.89 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7828443 0.89 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6463568 0.88 PDE7A (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3327075 0.88 PDE7A (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14991099 0.84 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2636854 0.83 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3360701 0.82 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13990244 0.81 TSHR (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2089396 0.80 SLC9A1 (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2636644 0.77 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets FERNANDEZ-POL JOSE A (US) 2004-08-26 — — US claimed
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2003-12-04 — — US claimed
EP-1189941-B1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS IPSEN PHARMA (FR) 2013-01-09 — — EP disclosed
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 — — US disclosed
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 — — US disclosed
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 — — US disclosed
CN-100506792-C Substituted N-aryl heterocycles, method for the production thereof and their use as medicaments AVENTIS PHARMA GMBH (DE) 2009-07-01 — — CN disclosed
US-20080132453-A1 Neuromedin B and somatostatin receptor agonists IPSEN PHARMA S.A.S. (FR) 2008-06-05 — — US disclosed
WO-2007130950-A2 ALBUMIN BINDING SITES FOR EVALUATING DRUG INTERACTIONS AND METHODS OF EVALUATING OR DESIGNING DRUGS BASED ON THEIR ALBUMIN BINDING PROPERTIES NEW CENTURY PHARMACEUTICALS, INC (US) 2007-11-15 — — WO disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 — — US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 — — US disclosed
CN-1774418-A Substituted N-arylheterocycles, method for production and use thereof as medicaments AVENTIS PHARMA GMBH (DE) 2006-05-17 — — CN disclosed
US-6903074-B1 Neuromedin b and somatostatin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2005-06-07 — — US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 — — US disclosed
US-6803379-B2 TREATMENT OF VIRAL, BACTERIAL, PARASITIC, PROLIFERATIVE DISEASES, NEURODEGENERATIVE DISEASES, INFLAMMATORY DISEASES, HEAVY METAL POISONING AND IMMUNOGICAL DISEASES WITH THIOPHENE-2-CARBOXYLIC ACID, 2-FUROIC ACID OR DERIVATIVES POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2004-10-12 — — US disclosed
US-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets FERNANDEZ-POL JOSE A (US) 2004-08-26 — — US disclosed
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2003-12-04 — — US disclosed
CN-1367793-A Neuromedin B and somatostatin receptor agonists CONSEILS DE RES ES ET D APPLIC (FR) 2002-09-04 — — CN disclosed
EP-1189941-A1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2002-03-27 — — EP disclosed
WO-2000075186-A1 NEUROMEDIN B AND SOMATOSTATIN RECEPTOR AGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES SAS (FR) 2000-12-14 — — 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 (6 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-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets ZFX, ZFR, SLC30A6 ALDH1A1 1453/4885MAPT 386/4885KDM4E 3272/4885
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 ALDH1A1 286/4885MAPT 4824/4885KDM4E 2966/4885
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS GHRHR, GHITM, GHSR ALDH1A1 4603/4885MAPT 4457/4885KDM4E 3518/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 ALDH1A1 374/4885MAPT 4800/4885KDM4E 2896/4885
US-20080132453-A1 Neuromedin B and somatostatin receptor agonists NMBR, NMUR1, NMUR2 ALDH1A1 4489/4885MAPT 3886/4885KDM4E 4831/4885
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets ZFX, ZFR, SLC30A6 ALDH1A1 1314/4885MAPT 303/4885KDM4E 3208/4885

“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.