SCHEMBL4959508

SCHEMBL4959508

O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 4/20 0.74
ALDH1A1 P00352 10/20 0.71
MAPT P10636 9/20 0.71
KDM4E B2RXH2 8/20 0.71
LMNA P02545 6/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
HTT P42858 4/20 0.71
PPARG P37231 1/20 0.71
NCOA2 Q15596 1/20 0.71
NCOA1 Q15788 1/20 0.71
GAA P10253 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL4957325 0.83 MAPT (0.71) MPLALDH1A1MAPTKDM4ELMNA
SCHEMBL4960241 0.83 ADORA1 (0.61) MPLALDH1A1MAPTKDM4ELMNA
SCHEMBL9216144 0.82 ALDH1A1 (0.71) MPLALDH1A1MAPTKDM4ELMNA
SCHEMBL9205554 0.81 ALDH1A1 (0.69) MPLALDH1A1MAPTKDM4ELMNA
SCHEMBL4960420 0.81 MAPT (0.64) MPLALDH1A1MAPTKDM4ELMNA
SCHEMBL1822988 0.74 MAPT (0.70) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4959609 0.71 MAPT (0.71) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4957609 0.71 ADORA1 (0.66) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL4958725 0.71 ADORA1 (0.60) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL8671324 0.71 MPL (0.47) MPLALDH1A1MAPTKDM4ELMNA

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
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US claimed
EP-1791822-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP claimed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US claimed
WO-2006013054-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO claimed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
US-7407977-B2 Substituted N-acyl-2-aminothiazoles HOFFMAN-LA ROCHE INC. (US) 2008-08-05 US disclosed
EP-1791822-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F.HOFFMANN-LA ROCHE AG (CH) 2007-06-06 EP disclosed
US-20060030589-A1 Substituted N-acyl-2-aminothiazoles HOFFMANN-LA ROCHE INC. 2006-02-09 US disclosed
WO-2006013054-A1 SUBSTITUTED N-ACYL-2-AMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (1 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-20060030589-A1 Substituted N-acyl-2-aminothiazoles SLC5A2, ABAT, AGTR2 MPL 3168/4885ALDH1A1 491/4885MAPT 1360/4885

“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.