SCHEMBL3676273

SCHEMBL3676273

CCSCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.56
POLB P06746 1/20 0.55
SCD O00767 2/20 0.50
SLC6A4 P31645 1/20 0.49
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGLL Q99685 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
SCHEMBL3669761 0.88 LMNA (0.59) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3671205 0.88 ALDH1A1 (0.46) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3667093 0.87 LMNA (0.58) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3668986 0.86 LMNA (0.57) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3670814 0.86 SCD (0.55) LMNAALDH1A1HTTSCDTSHR
SCHEMBL3668967 0.85 SCD (0.47) LMNAALDH1A1MEN1KMT2ASCD
SCHEMBL3669808 0.85 SCD (0.68) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3672723 0.84 LMNA (0.57) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3673352 0.84 SCD (0.53) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL3668980 0.84 SCD (0.67) LMNAALDH1A1MEN1KMT2AHTT

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 LMNA 175/4885ALDH1A1 1127/4885MEN1 1428/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885ALDH1A1 3898/4885MEN1 2723/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885ALDH1A1 1127/4885MEN1 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.