SCHEMBL2902973

SCHEMBL2902973

Cc1c(N)cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
TSHR P16473 3/20 0.56
CASP6 P55212 1/20 0.51
HCAR3 P49019 5/20 0.51
TPMT P51580 1/20 0.50
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL503451 0.87 TSHR (0.65) LMNATSHRCASP6HCAR3TPMT
SCHEMBL11590435 0.83 MAPK1 (0.67) LMNATSHRGAAMAPTALDH1A1
SCHEMBL4632273 0.82 LMNA (0.64) LMNATSHRCASP6HCAR3TPMT
SCHEMBL3582465 0.82 TSHR (0.64) LMNATSHRCASP6HCAR3TPMT
SCHEMBL2671409 0.82 VCAM1 (0.50) LMNATPMTGAAMAPTALDH1A1
SCHEMBL9382146 0.82 LMNA (0.55) LMNATSHRCASP6HCAR3TPMT
SCHEMBL4634186 0.81 LMNA (0.62) LMNATSHRCASP6HCAR3TPMT
SCHEMBL2903129 0.81 TPMT (0.64) LMNATSHRCASP6HCAR3TPMT
SCHEMBL450492 0.80 NPC1 (0.59) LMNAGAAMAPTALDH1A1MEN1
SCHEMBL865237 0.80 LMNA (0.65) LMNATSHRCASP6HCAR3TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
US-20100298324-A1 Prolyl Hydroxylase Inhibitors SMITH KLINE BEECHAM CORPORATION (US) 2010-11-25 US disclosed
EP-2240178-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-10-20 EP disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059549-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
WO-2009086044-A1 PROLYL HYDROXYLASE INHIBITORS SMITH KLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 WO disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN 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-20100298324-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 LMNA 3880/4885TSHR 1645/4885CASP6 3590/4885
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT LMNA 1715/4885TSHR 612/4885CASP6 1129/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 LMNA 1062/4885TSHR 4643/4885CASP6 2125/4885

“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.