SCHEMBL1929299

SCHEMBL1929299

COc1cc(N2CCSCC2)c(F)cc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 3/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.38
PAX8 Q06710 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS1 P23219 1/20 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
SCHEMBL1929840 0.90 L3MBTL1 (0.48) L3MBTL1KDM4EALDH1A1GAANPSR1
SCHEMBL1930869 0.90 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1GAANPSR1
SCHEMBL1931087 0.88 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1GAANPSR1
SCHEMBL1930476 0.85 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1GAANPSR1
SCHEMBL1931643 0.84 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1NPSR1USP2
SCHEMBL1930354 0.78 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1GAANPSR1
SCHEMBL1930432 0.77 L3MBTL1 (0.58) L3MBTL1KDM4EALDH1A1NPSR1USP2
SCHEMBL1929651 0.77 L3MBTL1 (0.45) L3MBTL1KDM4EALDH1A1NPSR1USP2
SCHEMBL1930944 0.76 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1NPSR1USP2
SCHEMBL1929630 0.76 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1GAANPSR1

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 3503/4885KDM4E 1328/4885ALDH1A1 310/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 L3MBTL1 3503/4885KDM4E 1328/4885ALDH1A1 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.