SCHEMBL4963945

SCHEMBL4963945

O=C(Nc1nc2c(s1)Cc1cc(F)ccc1-2)c1ccsc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.60
TP53 P04637 6/20 0.60
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
APAF1 O14727 4/20 0.56
CASP3 P42574 3/20 0.56
SENP8 Q96LD8 3/20 0.56
SENP7 Q9BQF6 3/20 0.56
SENP6 Q9GZR1 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
BLM P54132 2/20 0.56
TDP2 O95551 2/20 0.56
MCL1 Q07820 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54

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
SCHEMBL4957199 0.81 MAPT (0.61) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4963803 0.77 MAPT (0.67) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4958725 0.77 ADORA1 (0.60) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4958817 0.76 MAPT (0.52) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4960364 0.76 MAPT (0.73) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4958411 0.75 MAPT (0.57) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4965626 0.75 MAPT (0.59) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4958350 0.72 MAPT (0.68) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL1822988 0.71 MAPT (0.70) MAPTTP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4960241 0.68 ADORA1 (0.61) MAPTTP53ALDH1A1SMN1; SMN2MEN1

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
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
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 MAPT 1360/4885TP53 4777/4885ALDH1A1 491/4885

“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.