SCHEMBL3364095

SCHEMBL3364095

COc1ccccc1-c1cccc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.55
HSP90AB1 P08238 1/20 0.54
NOS1 P29475 6/20 0.54
NOS3 P29474 3/20 0.50
MCHR1 Q99705 1/20 0.50
PTPN1 P18031 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
ASIC3 Q9UHC3 1/20 0.48
METAP2 P50579 1/20 0.47
APP P05067 1/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
ADORA2A P29274 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL3629826 0.87 ALDH1A1 (0.57) HSP90AA1HSP90AB1PTPN1ALDH1A1HSD17B10
SCHEMBL2542645 0.85 ALDH1A1 (0.55) HSP90AA1HSP90AB1PTPN1ALDH1A1HSD17B10
SCHEMBL4213590 0.85 ALDH1A1 (0.55) HSP90AA1HSP90AB1PTPN1ALDH1A1HSD17B10
SCHEMBL6618823 0.80 NOS1 (0.56) HSP90AA1HSP90AB1NOS1NOS3MCHR1
SCHEMBL10691713 0.80 PTPN1 (0.54) HSP90AA1HSP90AB1MCHR1PTPN1ALDH1A1
SCHEMBL10372922 0.80 HSP90AA1 (0.57) HSP90AA1HSP90AB1ALDH1A1HSD17B10GAA
SCHEMBL5950607 0.79 ALDH1A1 (0.53) HSP90AA1HSP90AB1ALDH1A1HSD17B10GAA
SCHEMBL3363101 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1PTPN1ALDH1A1HSD17B10
SCHEMBL3457069 0.79 ASIC3 (0.50) NOS1NOS3ASIC3APPADORA2A
SCHEMBL6583984 0.79 NOS1 (0.54) HSP90AA1HSP90AB1NOS1NOS3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
US-7482341-B2 N-(pyridin-2-yl)-benzenesulfonamides; antidiabetic agents for Type II Diabetes; obesity; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. (US) 2009-01-27 US disclosed
WO-2006037501-A9 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES HOFFMANN LA ROCHE (CH) 2007-08-02 WO disclosed
EP-1799647-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-27 EP disclosed
WO-2006037501-A1 ALKIL-PYRIDINES AS 11-BETA INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN-LA ROCHE INC. 2006-04-06 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-20060074237-A1 N-(pyridin-2-yl)-benzenesulfonamides; hypotensive agents; antidiabetic agents for Type II Diabetes; obesity, eating disorders, dyslipidemia; 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD11B2 HSP90AA1 2380/4885HSP90AB1 1838/4885NOS1 909/4885

“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.