SCHEMBL3677191

SCHEMBL3677191

CCCCCCNC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(C)cc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
ME2 P23368 2/20 0.47
ME1 P48163 2/20 0.47
ME3 Q16798 2/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.46
PANK3 Q9H999 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SCD O00767 2/20 0.44
ENPP2 Q13822 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3668916 0.99 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3677770 0.96 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3671179 0.91 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3669416 0.89 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3674892 0.88 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EME2ME1ME3
SCHEMBL3675987 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EME2ME1ME3
SCHEMBL3671429 0.87 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EME2ME1ME3
SCHEMBL3673521 0.87 SLC6A4 (0.49) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3673900 0.86 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EL3MBTL1ME2ME1
SCHEMBL3670671 0.86 FOLH1 (0.51) SMN1; SMN2KDM4EL3MBTL1ME2ME1

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 SMN1; SMN2 112/4885KDM4E 3385/4885L3MBTL1 1863/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SMN1; SMN2 123/4885KDM4E 4395/4885L3MBTL1 3373/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SMN1; SMN2 112/4885KDM4E 3385/4885L3MBTL1 1863/4885

“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.