SCHEMBL3673457

SCHEMBL3673457

O=C(NCCc1cnc[nH]1)c1ccc(N2CCN(C(=O)c3cccs3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.53
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
NAMPT P43490 2/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.44
PBK Q96KB5 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC2A1 P11166 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 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
SCHEMBL3672080 0.85 SCD (0.71) SCDALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3669413 0.85 SCD (0.46) SCDALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3672668 0.84 SCD (0.76) SCD
SCHEMBL3670343 0.83 SCD (0.56) SCDALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL3670764 0.83 CYP3A4 (0.54) SCDALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL3672417 0.83 SCD (0.57) SCDALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3673707 0.82 CYP3A4 (0.48) SCDALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL3669387 0.82 SCD (0.54) SCDALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3671120 0.82 SCD (0.54) SCDALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3666240 0.81 SCD (0.64) SCDALDH1A1HPGDSMN1; SMN2TSHR

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 1127/4885HPGD 104/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885HPGD 3301/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885HPGD 104/4885

“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.