SCHEMBL3679205

SCHEMBL3679205

O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.77
ALDH1A1 P00352 3/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
TSHR P16473 1/20 0.62
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 4/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
DCTPP1 Q9H773 1/20 0.55
NAMPT P43490 1/20 0.54

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
SCHEMBL3667819 0.94 SCD (0.69) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3666654 0.94 SCD (0.68) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3672558 0.91 SCD (0.72) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3670689 0.89 SCD (0.63) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3673233 0.87 SCD (1.00) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3666652 0.86 SCD (0.65) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3672196 0.85 SCD (0.64) SCDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3677471 0.85 MEN1 (0.61) SCDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3674449 0.84 SCD (0.74) SCDALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL3668980 0.84 SCD (0.67) SCDALDH1A1MAPTSMN1; SMN2LMNA

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 10 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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 10/4885ALDH1A1 1127/4885MAPT 2923/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885MAPT 7/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885MAPT 2923/4885

“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.