SCHEMBL3669208

SCHEMBL3669208

Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCCOC(C)C)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.48
EGLN1 Q9GZT9 2/20 0.44
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 2/20 0.43
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 1/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 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
SCHEMBL3672411 0.92 SCD (0.46) SCDEGLN1TSHRFOLH1SMN1; SMN2
SCHEMBL3671671 0.90 USP30 (0.45) SCDEGLN1TSHRFOLH1SMN1; SMN2
SCHEMBL3676021 0.89 SCD (0.44) SCDTSHRNAMPTFOLH1SMN1; SMN2
SCHEMBL3670540 0.88 SCD (0.47) SCDTSHRFOLH1SMN1; SMN2ALDH1A1
SCHEMBL3675434 0.88 SCD (0.62) SCDTSHRNAMPTFOLH1SMN1; SMN2
SCHEMBL3667904 0.87 SCD (0.46) SCDEGLN1TSHRNAMPTFOLH1
SCHEMBL3668860 0.87 SCD (0.46) SCDTSHRL3MBTL1FOLH1SMN1; SMN2
SCHEMBL3677148 0.85 SMN1; SMN2 (0.58) SCDEGLN1TSHRL3MBTL1NAMPT
SCHEMBL3670505 0.84 SCD (0.57) SCDTSHRNAMPTFOLH1SMN1; SMN2
SCHEMBL3675444 0.84 SCD (0.56) SCDTSHRNAMPTFOLH1SMN1; SMN2

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 SCD 10/4885EGLN1 2179/4885TSHR 2433/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885EGLN1 2901/4885TSHR 4310/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885EGLN1 2179/4885TSHR 2433/4885

“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.