SCHEMBL1930896

SCHEMBL1930896

COc1cc(NC(=O)c2ccsc2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ TSHR P16473 5/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ IMPDH2 P12268 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CRHBP P24387 1/20 0.40

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
SCHEMBL1930375 0.86 ALDH1A1 (0.49) L3MBTL1PTGS2TSHRHSD17B10ALOX15
SCHEMBL1930363 0.84 NPC1 (0.50) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL1929911 0.82 MAPK1 (0.50) L3MBTL1PTGS2TSHRHSD17B10HPGD
SCHEMBL3862847 0.81 L3MBTL1 (0.53) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL1929051 0.81 L3MBTL1 (0.51) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL1930420 0.79 L3MBTL1 (0.49) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL3862704 0.79 L3MBTL1 (0.51) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL1930641 0.78 L3MBTL1 (0.51) L3MBTL1PTGS2TSHRHSD17B10ALOX15
SCHEMBL1928761 0.77 L3MBTL1 (0.57) L3MBTL1PTGS2TSHRHSD17B10MAPT
SCHEMBL1930589 0.77 NR3C1 (0.46) L3MBTL1TSHRHSD17B10MAPTTP53

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 L3MBTL1 3503/4885PTGS2 3664/4885TSHR 760/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 L3MBTL1 3503/4885PTGS2 3664/4885TSHR 760/4885

“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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