SCHEMBL3672525

SCHEMBL3672525

CC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
KMT2A Q03164 6/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
ME2 P23368 2/20 0.44
ME1 P48163 2/20 0.44
ME3 Q16798 2/20 0.44
POLB P06746 1/20 0.43
SCD O00767 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3668245 0.90 KMT2A (0.48) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3676799 0.88 KMT2A (0.48) KMT2AMAPTSMN1; SMN2MEN1SCD
SCHEMBL3668397 0.86 SCD (0.58) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3673514 0.85 SCD (0.53) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3675590 0.84 SCD (0.52) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3669155 0.83 SCD (0.57) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3669021 0.83 SMN1; SMN2 (0.55) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3673912 0.83 LMNA (0.54) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3679252 0.81 ME2 (0.52) LMNAKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL3677228 0.81 LMNA (0.52) LMNAKMT2AMAPTSMN1; SMN2MEN1

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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP claimed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 175/4885KMT2A 3998/4885MAPT 2923/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885KMT2A 3153/4885MAPT 7/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885KMT2A 3998/4885MAPT 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.