SCHEMBL1379633

SCHEMBL1379633

O=S(=O)(Nc1ccnc(C2CC2)n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 4/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
MYLK Q15746 1/20 0.44
SLC40A1 Q9NP59 2/20 0.44
G6PD P11413 1/20 0.43
NFKBIA P25963 1/20 0.43
AGTR1 P30556 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GLO1 Q04760 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 2/20 0.43

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
SCHEMBL1377807 0.92 HSD11B1 (0.54) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL1378007 0.85 HSD11B1 (0.55) ALDH1A1HPGDLMNAPOLBGLO1
SCHEMBL1377739 0.81 GLO1 (0.54) KDM4EALDH1A1LMNAMAPK1POLB
SCHEMBL1377672 0.80 HSD11B1 (0.53) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL7974332 0.80 KDM4E (0.54) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL1378524 0.79 EDNRB (0.44) ALDH1A1
SCHEMBL822366 0.78 NPSR1 (0.69) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL6978300 0.77 POLB (0.56) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL1828831 0.76 MAPT (0.62) ALDH1A1LMNAMAPK1POLBSLC40A1
SCHEMBL28338196 0.75 SCN9A (0.53) KDM4EALDH1A1HSD17B10HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4809339-B2 2011-11-09 JP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP claimed
CN-1972918-B Pyrimidine derivatives HOFFMANN LA ROCHE 2010-10-13 CN claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
CN-1972918-A Pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-30 CN claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP disclosed
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 KDM4E 1900/4885ALDH1A1 82/4885HSD17B10 25/4885

“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.