SCHEMBL3672268

SCHEMBL3672268

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
SCD O00767 5/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
NAAA Q02083 2/20 0.44
USP30 Q70CQ3 2/20 0.43
MLYCD O95822 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 1/20 0.42
P2RY12 Q9H244 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
SCHEMBL3674463 0.99 FOLH1 (0.50) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3668256 0.97 SCD (0.49) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3670996 0.91 SMN1; SMN2 (0.47) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3667496 0.90 ALDH1A1 (0.50) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3679918 0.89 NPC1 (0.48) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3671998 0.88 RAB9A (0.59) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3674697 0.88 TSHR (0.51) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3674749 0.88 HPGD (0.49) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3672900 0.88 SCD (0.62) FOLH1SCDALDH1A1MAPTSMN1; SMN2
SCHEMBL3675159 0.87 ALDH1A1 (0.50) 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 10/4885ALDH1A1 1127/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 FOLH1 3029/4885SCD 1186/4885ALDH1A1 3898/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT FOLH1 2800/4885SCD 10/4885ALDH1A1 1127/4885

“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.