SCHEMBL1930606

SCHEMBL1930606

COc1cc(F)ccc1-c1nnc(-c2c(-c3ccccc3)noc2CO)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ PTGS2 P35354 2/20 0.40
▸ CTSA P10619 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL1931063 0.91 PTGS1 (0.49) GUSBL3MBTL1PTGS2CTSAKCNH2
SCHEMBL1930768 0.90 L3MBTL1 (0.41) GUSBL3MBTL1PTGS2CTSAKCNH2
SCHEMBL1929641 0.90 GUSB (0.42) GUSBL3MBTL1PTGS2CTSAKCNH2
SCHEMBL3861840 0.88 L3MBTL1 (0.41) GUSBL3MBTL1PTGS2CTSANPC1
SCHEMBL1930432 0.85 L3MBTL1 (0.58) GUSBL3MBTL1PTGS2NPC1RAB9A
SCHEMBL1930462 0.83 MAPK14 (0.43) GUSBL3MBTL1CTSANPC1RAB9A
SCHEMBL1928897 0.81 L3MBTL1 (0.41) GUSBL3MBTL1CTSAS1PR1KCNH2
SCHEMBL1928761 0.75 L3MBTL1 (0.57) GUSBL3MBTL1PTGS2NPC1RAB9A
SCHEMBL1930037 0.74 L3MBTL1 (0.65) L3MBTL1PTGS2NPC1RAB9AALDH1A1
SCHEMBL1931643 0.74 L3MBTL1 (0.59) L3MBTL1PTGS2NPC1RAB9AALDH1A1

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 GUSB 3281/4885L3MBTL1 3503/4885PTGS2 3664/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 GUSB 3281/4885L3MBTL1 3503/4885PTGS2 3664/4885

“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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