SCHEMBL1931063

SCHEMBL1931063

CCc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(F)cc2OC)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GUSB P08236 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 2/20 0.39

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
SCHEMBL1929641 0.91 GUSB (0.42) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL1930606 0.91 GUSB (0.42) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL3861840 0.89 L3MBTL1 (0.41) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL1930768 0.89 L3MBTL1 (0.41) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL1930432 0.86 L3MBTL1 (0.58) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL1930462 0.84 MAPK14 (0.43) L3MBTL1GUSBALDH1A1KDM4EHTT
SCHEMBL1928897 0.82 L3MBTL1 (0.41) L3MBTL1GUSBALDH1A1KDM4EHTT
SCHEMBL1928761 0.75 L3MBTL1 (0.57) PTGS1PTGS2L3MBTL1GUSBALDH1A1
SCHEMBL1930037 0.74 L3MBTL1 (0.65) PTGS1PTGS2L3MBTL1ALDH1A1KDM4E
SCHEMBL1931643 0.74 L3MBTL1 (0.59) PTGS1PTGS2L3MBTL1ALDH1A1KDM4E

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 8 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
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 — — US 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 PTGS1 3103/4885PTGS2 3664/4885L3MBTL1 3503/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 PTGS1 3103/4885PTGS2 3664/4885L3MBTL1 3503/4885

“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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