SCHEMBL1930689

SCHEMBL1930689

Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc3[nH]ccc3c2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
USP2 O75604 1/20 0.56
XBP1 P17861 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
NPC1 O15118 1/20 0.47
LRRK2 Q5S007 1/20 0.41
PSMB8 P28062 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
SCHEMBL1930672 0.81 NPSR1 (0.57) BRD4NPSR1KDM4EALDH1A1TSHR
SCHEMBL1930084 0.80 L3MBTL1 (0.67) BRD4NPSR1KDM4EALDH1A1TSHR
SCHEMBL1930424 0.80 NPSR1 (0.56) BRD4NPSR1KDM4EALDH1A1TSHR
SCHEMBL1931184 0.78 NPSR1 (0.56) NPSR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL16493850 0.78 NPSR1 (0.58) NPSR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL1930071 0.77 NPSR1 (0.63) BRD4NPSR1KDM4EALDH1A1TSHR
SCHEMBL1930470 0.76 L3MBTL1 (0.60) NPSR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL1930392 0.76 L3MBTL1 (0.62) NPSR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL1931147 0.76 L3MBTL1 (0.59) NPSR1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL1930141 0.76 NPC1 (0.62) NPSR1KDM4EALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP claimed
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US claimed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 US claimed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP claimed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US claimed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 WO claimed
EP-1968972-B1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-28 EP disclosed
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US disclosed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 US disclosed
US-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 US disclosed
EP-1968972-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-09-17 EP disclosed
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007071598-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-28 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 (2 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-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES GABRA5, GABRA4, GABRA3 BRD4 1112/4885NPSR1 190/4885KDM4E 1328/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 BRD4 1112/4885NPSR1 190/4885KDM4E 1328/4885

“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.