SCHEMBL2993500

SCHEMBL2993500

CC(C)(O)c1ccc2nc(-c3ccccc3O)c(NCc3ccc(F)cc3)n2c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.52
SIRT1 Q96EB6 1/20 0.50
PLAU P00749 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL2992175 0.85 SIRT1 (0.54) NR1H4SIRT1PLAUALOX5
SCHEMBL2992169 0.84 SIRT1 (0.56) NR1H4SIRT1
SCHEMBL2982216 0.84 SIRT1 (0.68) NR1H4SIRT1PLAU
SCHEMBL2988125 0.84 NR1H4 (0.54) NR1H4SIRT1PLAUALOX5
SCHEMBL2992286 0.81 NR1H4 (0.53) NR1H4SIRT1PLAU
SCHEMBL2990501 0.81 SALL4 (0.55) NR1H4SIRT1PLAU
SCHEMBL2987078 0.81 TRIM33 (0.56) NR1H4SIRT1PLAU
SCHEMBL2992120 0.80 NR1H4 (0.52) NR1H4SIRT1PLAUALOX5
SCHEMBL2979539 0.80 PLAU (0.54) NR1H4SIRT1PLAUALOX5
SCHEMBL2982183 0.78 GAA (0.62) NR1H4SIRT1PLAU

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-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US 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 NR1H4 4747/4885SIRT1 2093/4885PLAU 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.