SCHEMBL1929436

SCHEMBL1929436

COc1ccc(OC)c(-c2nnc(-c3c(-c4ccccc4)noc3C)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 3/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
PTGS2 P35354 2/20 0.49
MAPK1 P28482 2/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 2/20 0.46
USP2 O75604 1/20 0.46
XBP1 P17861 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
SCHEMBL1930307 0.91 L3MBTL1 (0.56) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1930037 0.87 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1931643 0.84 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1930688 0.84 NPC1 (0.55) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1928775 0.83 NPC1 (0.67) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1928761 0.83 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1929695 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1930148 0.81 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1930432 0.81 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3862847 0.80 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HSD17B10HPGD

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 12 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-7541372-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-06-02 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 L3MBTL1 3503/4885KDM4E 1328/4885ALDH1A1 310/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 L3MBTL1 3503/4885KDM4E 1328/4885ALDH1A1 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.