SCHEMBL2991116

SCHEMBL2991116

O=C(CCO)Nc1ccc2nc(-c3ccccc3O)c(NCc3cccc(Cl)c3)n2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.55
NR1H4 Q96RI1 6/20 0.46
ATM Q13315 5/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2989834 0.90 SIRT1 (0.52) SIRT1NR1H4ATMMAPTL3MBTL1
SCHEMBL2989948 0.85 SIRT1 (0.49) SIRT1NR1H4MAPTL3MBTL1KDM4E
SCHEMBL2975672 0.83 SIRT1 (0.62) SIRT1NR1H4ATMMAPT
SCHEMBL2977798 0.82 SIRT1 (0.57) SIRT1NR1H4ATML3MBTL1CASP3
SCHEMBL2992188 0.81 SIRT1 (0.56) SIRT1NR1H4ATMMAPTL3MBTL1
SCHEMBL2982976 0.81 SIRT1 (0.60) SIRT1NR1H4ATMMAPT
SCHEMBL2988617 0.81 NR1H4 (0.68) SIRT1NR1H4ATM
SCHEMBL2989807 0.80 SIRT1 (0.61) SIRT1NR1H4ATMMAPT
SCHEMBL2980137 0.80 SIRT1 (0.55) SIRT1NR1H4ATML3MBTL1CASP3
SCHEMBL2984134 0.80 SIRT1 (0.55) SIRT1NR1H4ATML3MBTL1CASP3

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 SIRT1 2093/4885NR1H4 4747/4885ATM 1696/4885

“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.