SCHEMBL12746321

SCHEMBL12746321

O=C(COCCSC(SCCCS)=C1c2ccccc2N(Cc2ccccc2)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
PKM P14618 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 1/20 0.33
PRKAG1 P54619 3/20 0.33
PRKAA2 P54646 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
ALDH2 P05091 1/20 0.32
CHRM1 P11229 1/20 0.32
CES1 P23141 1/20 0.32
ALDH3A1 P30838 1/20 0.32
MGLL Q99685 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13170506 0.92 MAPT (0.37) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL12316234 0.88 KCNH2 (0.35) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL13241434 0.83 POLB (0.37) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL16939105 0.79 MAPT (0.38) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL16705068 0.79 POLB (0.34) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL10014704 0.79 MAPT (0.40) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL13160779 0.79 MAPT (0.35) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL12716312 0.78 MAPT (0.39) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL16704756 0.77 ALDH1A1 (0.35) MAPTPKMALDH1A1MAPK1NPSR1
SCHEMBL12716317 0.77 ALDH1A1 (0.34) MAPTPKMALDH1A1MAPK1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923214-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2011-04-12 US disclosed
US-20110009293-A1 Nonseparation Assay Methods BECKMAN COULTER, INC. (US) 2011-01-13 US disclosed
US-7799534-B2 Nonseparation assay methods BECKMAN COULTER, INC. (US) 2010-09-21 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 (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-20110009293-A1 Nonseparation Assay Methods FCER2, NTRK1, FCGR2A MAPT 4841/4885PKM 4495/4885ALDH1A1 3101/4885

“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.