SCHEMBL3674463

SCHEMBL3674463

CCCCCCNC(=O)c1ccc(N2CCN(C(=O)C(CC)CC)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
SCD O00767 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NAAA Q02083 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
MLYCD O95822 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.43
USP30 Q70CQ3 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 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
SCHEMBL3672268 0.99 FOLH1 (0.51) FOLH1SCDL3MBTL1NAAAALDH1A1
SCHEMBL3668256 0.96 SCD (0.49) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3670996 0.90 SMN1; SMN2 (0.47) FOLH1SCDL3MBTL1ALDH1A1MAPT
SCHEMBL3667496 0.89 ALDH1A1 (0.50) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3679918 0.88 NPC1 (0.48) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3669515 0.88 ALDH1A1 (0.49) FOLH1SCDL3MBTL1NAAAALDH1A1
SCHEMBL3671998 0.88 RAB9A (0.59) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3674697 0.87 TSHR (0.51) FOLH1SCDL3MBTL1ALDH1A1MAPT
SCHEMBL3674749 0.87 HPGD (0.49) FOLH1SCDL3MBTL1ALDH1A1MAPT
SCHEMBL3672900 0.87 SCD (0.62) FOLH1SCDALDH1A1MAPTSMN1; 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 FOLH1 2800/4885SCD 10/4885L3MBTL1 1863/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 FOLH1 3029/4885SCD 1186/4885L3MBTL1 3373/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT FOLH1 2800/4885SCD 10/4885L3MBTL1 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.