SCHEMBL16495658

SCHEMBL16495658

COc1cc(F)cc(-c2ccc(C(=O)NCCC3CCCCO3)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.53
NPC1 O15118 4/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGDS O60760 1/20 0.44
LDHA P00338 1/20 0.43
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
RAB9A P51151 3/20 0.42

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
SCHEMBL16495586 0.88 HPGDS (0.56) EGLN1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL16496456 0.85 HPGDS (0.54) EGLN1NPC1HPGDHPGDS
SCHEMBL16495886 0.84 EGLN1 (0.49) EGLN1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL16496432 0.79 HPGD (0.51) EGLN1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL16496157 0.79 RAB9A (0.67) EGLN1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL16496718 0.77 MAPT (0.49) EGLN1NPC1HPGDKMT2ASMN1; SMN2
SCHEMBL16495956 0.75 HPGD (0.64) NPC1HPGDKMT2ASMN1; SMN2HPGDS
SCHEMBL16495566 0.75 RAB9A (0.61) NPC1HPGDKMT2ASMN1; SMN2LMNA
SCHEMBL16495642 0.74 GAA (0.48) EGLN1NPC1HPGDRAB9A
SCHEMBL16495637 0.74 MAP4K4 (0.46) EGLN1HPGDSLDHAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 EGLN1 1302/4885NPC1 236/4885HPGD 19/4885

“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.