SCHEMBL3671923

SCHEMBL3671923

CCOCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.45
EGLN1 Q9GZT9 2/20 0.44
NAMPT P43490 1/20 0.44
P2RY12 Q9H244 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
USP30 Q70CQ3 2/20 0.43

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
SCHEMBL3673608 0.94 SCD (0.53) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3668221 0.92 SCD (0.56) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3670766 0.90 SCD (0.58) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3674355 0.90 SCD (0.58) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3667645 0.89 SCD (0.57) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3667713 0.89 HPGD (0.56) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3671799 0.89 SCD (0.56) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3667941 0.87 LMNA (0.55) SCDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL3668360 0.86 SCD (0.73) SCDSMN1; SMN2LMNAKDM4E
SCHEMBL3674299 0.86 SCD (0.52) SCDSMN1; SMN2LMNAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP claimed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US claimed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 US claimed
EP-1763350-B1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-12-21 EP disclosed
EP-2266566-A2 Nicotinamide derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2010-12-29 EP disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
US-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-06-02 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 (3 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-20050119251-A1 Nicotinamide derivatives and their use as therapeutic agents NAMPT, NNT, NNMT SCD 10/4885SMN1; SMN2 112/4885LMNA 175/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885SMN1; SMN2 123/4885LMNA 369/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885SMN1; SMN2 112/4885LMNA 175/4885

“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.