SCHEMBL3673352

SCHEMBL3673352

CCSCCNC(=O)c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
LMNA P02545 6/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MGLL Q99685 1/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 1/20 0.44
NAMPT P43490 1/20 0.44
IDE P14735 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3667220 0.90 MEN1 (0.58) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3673069 0.89 SCD (0.56) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3668907 0.88 SCD (0.55) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3672866 0.87 SCD (0.54) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3671192 0.86 SCD (0.71) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3670030 0.85 SCD (0.54) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3667618 0.85 SCD (0.54) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3674287 0.85 SCD (0.52) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3671227 0.85 SCD (0.53) SCDLMNAKMT2AALDH1A1HTT
SCHEMBL3672558 0.84 SCD (0.72) SCDLMNAKMT2AALDH1A1HTT

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 10/4885LMNA 175/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885LMNA 369/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885LMNA 175/4885KMT2A 3998/4885

“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.