SCHEMBL3676977

SCHEMBL3676977

CCCCCNC(=O)c1ccc(N2CCN(C(=O)CCCC)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCD O00767 5/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
USP30 Q70CQ3 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 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
SCHEMBL3670671 0.99 FOLH1 (0.51) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3678750 0.97 FOLH1 (0.51) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3673956 0.92 ME2 (0.51) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3677186 0.91 ME2 (0.52) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3671139 0.91 NPC1 (0.48) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3672969 0.90 ALDH1A1 (0.59) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3676844 0.90 ME2 (0.49) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3675138 0.90 SCD (0.61) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3671043 0.89 ALDH1A1 (0.60) FOLH1ME2ME1ME3ALDH1A1
SCHEMBL3668140 0.89 ME2 (0.48) FOLH1ME2ME1ME3ALDH1A1

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 FOLH1 2800/4885ME2 12/4885ME1 66/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 FOLH1 3029/4885ME2 2235/4885ME1 4516/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT FOLH1 2800/4885ME2 12/4885ME1 66/4885

“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.