SCHEMBL3366336

SCHEMBL3366336

Nc1cccc(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
ASIC3 Q9UHC3 1/20 0.48
PTPN1 P18031 4/20 0.48
KMO O15229 1/20 0.48
MPL P40238 2/20 0.46
TLR8 Q9NR97 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
ACP1 P24666 1/20 0.42
HSD11B1 P28845 1/20 0.42
ATR Q13535 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3362241 0.79 ATR (0.46) BACE1PTPN1KMOMPLTLR8
SCHEMBL10374129 0.79 CCR1 (0.52) PTPN1KMOACP1HSD11B1CYP1A2
SCHEMBL2442229 0.78 BACE1 (0.48) BACE1PTPN1KMOMPLTLR8
SCHEMBL2308388 0.77 PTPN1 (0.50) BACE1PTPN1KMOMPLTLR8
SCHEMBL2447801 0.77 BACE1 (0.47) BACE1PTPN1KMOTLR8ALOX5AP
SCHEMBL935401 0.76 KMO (0.60) PTPN1KMOFEN1CYP1A2CYP3A4
SCHEMBL30166486 0.76 MPL (0.55) BACE1ASIC3MPLTLR8ALOX5AP
SCHEMBL3935260 0.76 MPL (0.55) BACE1ASIC3MPLTLR8ALOX5AP
SCHEMBL14879962 0.75 CNR2 (0.51) BACE1PTPN1KMOTLR8ALOX5AP
SCHEMBL13556450 0.75 KMO (0.44) PTPN1KMOMPLACP1HSD11B1

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 BACE1 797/4885ASIC3 3905/4885PTPN1 1364/4885

“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.