SCHEMBL3672902

SCHEMBL3672902

CC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
SCD O00767 2/20 0.49
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.47
DRD4 P21917 2/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46

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
SCHEMBL3669497 0.90 LMNA (0.57) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3677228 0.89 LMNA (0.52) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3672891 0.88 LMNA (0.59) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3669604 0.87 LMNA (0.58) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3666353 0.86 SCD (0.54) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3670763 0.86 SCD (0.54) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3672604 0.84 LMNA (0.53) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3668980 0.84 SCD (0.67) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3669607 0.83 HPGD (0.57) LMNAKMT2AMEN1HTTALDH1A1
SCHEMBL3669617 0.83 SCD (0.53) LMNAKMT2AMEN1HTTALDH1A1

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
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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 LMNA 175/4885KMT2A 3998/4885MEN1 1428/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885KMT2A 3153/4885MEN1 2723/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885KMT2A 3998/4885MEN1 1428/4885

“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.