SCHEMBL3673687

SCHEMBL3673687

Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NC(C)CCc3ccccc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
SCD O00767 2/20 0.47
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3673680 0.89 SCD (0.44) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3669607 0.86 HPGD (0.57) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3671437 0.86 SCD (0.63) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3671352 0.86 SCD (0.45) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL3670505 0.85 SCD (0.57) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3675444 0.84 SCD (0.56) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3672604 0.84 LMNA (0.53) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3672902 0.82 LMNA (0.55) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3672891 0.82 LMNA (0.59) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL3673912 0.82 LMNA (0.54) LMNASMN1; SMN2KMT2AMEN1HTT

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 175/4885SMN1; SMN2 112/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885SMN1; SMN2 123/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885SMN1; SMN2 112/4885KMT2A 3998/4885

“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.