SCHEMBL1930641

SCHEMBL1930641

COCCNc1ccc(-c2nnc(-c3c(-c4ccccc4)noc3C)o2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ USP2 O75604 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ IMPDH2 P12268 1/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ PKM P14618 1/20 0.37
▸ MEN1 O00255 3/20 0.37

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
SCHEMBL3862847 0.86 L3MBTL1 (0.53) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930206 0.86 L3MBTL1 (0.48) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1929051 0.84 L3MBTL1 (0.51) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930432 0.82 L3MBTL1 (0.58) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930420 0.82 L3MBTL1 (0.49) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930375 0.82 ALDH1A1 (0.49) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1928761 0.82 L3MBTL1 (0.57) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930363 0.82 NPC1 (0.50) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930307 0.81 L3MBTL1 (0.56) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL1930148 0.80 L3MBTL1 (0.55) L3MBTL1HSD17B10ALDH1A1KDM4ETSHR

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 10 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
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 L3MBTL1 3503/4885HSD17B10 810/4885ALDH1A1 310/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 L3MBTL1 3503/4885HSD17B10 810/4885ALDH1A1 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.

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