SCHEMBL1929033

SCHEMBL1929033

Cc1onc(-c2ccccc2)c1-c1nnc(-c2ccc(N3CCS(=O)(=O)CC3)nc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.48
NPSR1 Q6W5P4 4/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
TSHR P16473 1/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
WNT3A P56704 1/20 0.41
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5AP P20292 1/20 0.39
MT-CO2 P00403 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 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
SCHEMBL1929596 0.87 ATR (0.56) ATRNPSR1KDM4EALDH1A1USP2
SCHEMBL1930082 0.86 L3MBTL1 (0.49) ATRNPSR1KDM4EALDH1A1USP2
SCHEMBL1930500 0.86 KDM4E (0.48) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1929218 0.85 NPSR1 (0.46) ATRNPSR1KDM4EALDH1A1USP2
SCHEMBL1930354 0.77 L3MBTL1 (0.50) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1929325 0.76 NPC1 (0.64) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1930503 0.76 L3MBTL1 (0.55) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1930408 0.75 L3MBTL1 (0.46) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1930084 0.75 L3MBTL1 (0.67) NPSR1KDM4EALDH1A1USP2TSHR
SCHEMBL1931087 0.73 L3MBTL1 (0.46) NPSR1KDM4EALDH1A1USP2TSHR

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-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 US claimed
US-20090197875-A1 ARYL-ISOXAZOLO-4-YL-OXADIAZOLE DERIVATIVES BUETTELMANN BERND 2009-08-06 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 ATR 3382/4885NPSR1 190/4885KDM4E 1328/4885
US-20070161686-A1 Aryl-isoxazolo-4-yl-oxadiazole derivatives GABRA5, GABRA4, GABRA3 ATR 3382/4885NPSR1 190/4885KDM4E 1328/4885

“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.