SCHEMBL3862704

SCHEMBL3862704

COc1cc(C(N)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ KDM4E B2RXH2 7/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ GAA P10253 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ XBP1 P17861 1/20 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
SCHEMBL1930148 0.85 L3MBTL1 (0.55) L3MBTL1KDM4EHTTLMNAKMT2A
SCHEMBL1928761 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EHTTKMT2AMEN1
SCHEMBL1930307 0.83 L3MBTL1 (0.56) L3MBTL1KDM4EHTTLMNAKMT2A
SCHEMBL1930375 0.83 ALDH1A1 (0.49) L3MBTL1KDM4EKMT2AMEN1GAA
SCHEMBL1930432 0.83 L3MBTL1 (0.58) L3MBTL1KDM4EHTTKMT2AMEN1
SCHEMBL16493647 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EHTTLMNAKMT2A
SCHEMBL1930037 0.82 L3MBTL1 (0.65) L3MBTL1KDM4EHTTLMNAKMT2A
SCHEMBL16493575 0.81 NPC1 (0.51) L3MBTL1MKNK1MKNK2KDM4EHTT
SCHEMBL1929695 0.81 L3MBTL1 (0.53) L3MBTL1KDM4EHTTKMT2AMEN1
SCHEMBL3862847 0.81 L3MBTL1 (0.53) L3MBTL1KDM4EHTTKMT2AMEN1

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-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-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 3503/4885MKNK1 4032/4885MKNK2 3375/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 L3MBTL1 3503/4885MKNK1 4032/4885MKNK2 3375/4885

“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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