SCHEMBL3677148

SCHEMBL3677148

CC(C)OCCCNC(=O)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
SCD O00767 2/20 0.55
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.45
EGLN1 Q9GZT9 1/20 0.45
GAA P10253 1/20 0.43
NAMPT P43490 1/20 0.43
MAPK1 P28482 1/20 0.43
FOLH1 Q04609 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL3668399 0.92 GAA (0.54) SMN1; SMN2SCDALDH1A1HPGDTSHR
SCHEMBL3670304 0.90 SCD (0.51) SMN1; SMN2SCDALDH1A1HPGDTSHR
SCHEMBL3674482 0.89 SCD (0.50) SMN1; SMN2SCDPOLBALDH1A1HPGD
SCHEMBL3671120 0.88 SCD (0.54) SMN1; SMN2SCDPOLBALDH1A1HPGD
SCHEMBL3671242 0.87 SCD (0.70) SMN1; SMN2SCDALDH1A1HPGDTSHR
SCHEMBL3672863 0.87 SCD (0.54) SMN1; SMN2SCDPOLBALDH1A1HPGD
SCHEMBL3674060 0.86 SCD (0.53) SMN1; SMN2SCDPOLBALDH1A1HPGD
SCHEMBL3678289 0.86 SCD (0.52) SMN1; SMN2SCDPOLBALOX15ALDH1A1
SCHEMBL3669208 0.85 SCD (0.48) SMN1; SMN2SCDALDH1A1HPGDTSHR
SCHEMBL3666240 0.84 SCD (0.64) SMN1; SMN2SCDALDH1A1HPGDTSHR

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 SMN1; SMN2 112/4885SCD 10/4885POLB 1794/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SMN1; SMN2 123/4885SCD 1186/4885POLB 3371/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SMN1; SMN2 112/4885SCD 10/4885POLB 1794/4885

“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.