SCHEMBL1929596

SCHEMBL1929596

Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(N3CCOCC3)nc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.56
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 2/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CNR2 P34972 6/20 0.45
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
DGAT1 O75907 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL1930082 0.89 L3MBTL1 (0.49) ATRTSHRALDH1A1HSD17B10KDM4E
SCHEMBL1929033 0.87 ATR (0.48) ATRTSHRALDH1A1HSD17B10KDM4E
SCHEMBL1929218 0.87 NPSR1 (0.46) ATRTSHRALDH1A1HSD17B10KDM4E
SCHEMBL1930415 0.85 TSHR (0.49) ATRTSHRALDH1A1HSD17B10KDM4E
SCHEMBL1929648 0.81 L3MBTL1 (0.47) ATRTSHRALDH1A1HSD17B10KDM4E
SCHEMBL1930503 0.78 L3MBTL1 (0.55) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1929325 0.78 NPC1 (0.64) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1930397 0.78 L3MBTL1 (0.52) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1929126 0.77 GABRA5 (0.48) TSHRALDH1A1HSD17B10KDM4ENPSR1
SCHEMBL1930084 0.77 L3MBTL1 (0.67) TSHRALDH1A1HSD17B10KDM4ENPSR1

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 11 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
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US 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 ATR 3382/4885TSHR 760/4885ALDH1A1 310/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 ATR 3382/4885TSHR 760/4885ALDH1A1 310/4885

“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.