SCHEMBL2996963

SCHEMBL2996963

CC(C)(CCO)NC(=O)[C@@H]1CC[C@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.57
GABRA5 P31644 4/20 0.45
CYP2C9 P11712 3/20 0.43
MAPK14 Q16539 3/20 0.43
BUB1 O43683 1/20 0.43
PRKACG P22612 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPK11 Q15759 1/20 0.43
ACSL5 Q9ULC5 1/20 0.43
STK24 Q9Y6E0 1/20 0.43
MAP4K4 O95819 1/20 0.42
GRM5 P41594 2/20 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
SCHEMBL3100212 0.89 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14BUB1
SCHEMBL3100225 0.89 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14BUB1
SCHEMBL3100219 0.89 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14BUB1
SCHEMBL2988675 0.85 HPGDS (0.64) HPGDSGABRA5CYP2C9MAPK14MAPK11
SCHEMBL1543392 0.85 HPGDS (0.58) HPGDSGABRA5CYP2C9MAPK14BUB1
SCHEMBL1542883 0.83 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14MAPK11
SCHEMBL1542884 0.83 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14MAPK11
SCHEMBL13240650 0.83 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14MAPK11
SCHEMBL13240654 0.82 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14BUB1
SCHEMBL1543079 0.82 HPGDS (0.56) HPGDSGABRA5CYP2C9MAPK14BUB1

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885GABRA5 1938/4885CYP2C9 405/4885

“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.