SCHEMBL2989948

SCHEMBL2989948

O=C(CCO)Nc1ccc2nc(-c3ccccc3O)c(NCc3ccc(F)cc3)n2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.49
NR1H4 Q96RI1 10/20 0.46
PLAU P00749 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 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
SCHEMBL2983519 0.90 SIRT1 (0.46) SIRT1NR1H4PLAUMAPTKDM4E
SCHEMBL2991116 0.85 SIRT1 (0.55) SIRT1NR1H4MAPTKDM4EALDH1A1
SCHEMBL2992175 0.83 SIRT1 (0.54) SIRT1NR1H4PLAU
SCHEMBL2992286 0.81 NR1H4 (0.53) SIRT1NR1H4PLAU
SCHEMBL2979539 0.81 PLAU (0.54) SIRT1NR1H4PLAU
SCHEMBL2992120 0.81 NR1H4 (0.52) SIRT1NR1H4PLAU
SCHEMBL2982216 0.80 SIRT1 (0.68) SIRT1NR1H4PLAUMAPTGAA
SCHEMBL2988125 0.80 NR1H4 (0.54) SIRT1NR1H4PLAUMAPTKDM4E
SCHEMBL2987078 0.79 TRIM33 (0.56) SIRT1NR1H4PLAU
SCHEMBL2990501 0.77 SALL4 (0.55) SIRT1NR1H4PLAUMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 SIRT1 2093/4885NR1H4 4747/4885PLAU 2493/4885

“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.