SCHEMBL3672107

SCHEMBL3672107

CC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
SCD O00767 2/20 0.48
MAPT P10636 1/20 0.47
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MGLL Q99685 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PANK3 Q9H999 1/20 0.42
P2RX7 Q99572 2/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAMPT P43490 1/20 0.41
IDH1 O75874 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL3673446 0.93 HSD17B10 (0.53) L3MBTL1SCDHSD17B10MGLLLMNA
SCHEMBL3669540 0.90 L3MBTL1 (0.49) L3MBTL1SCDMAPTHSD17B10SMN1; SMN2
SCHEMBL3674781 0.87 SCD (0.47) SCDHSD17B10MGLLPANK3RAB9A
SCHEMBL3679255 0.86 POLB (0.58) L3MBTL1SCDMAPTHSD17B10SMN1; SMN2
SCHEMBL3672523 0.85 SCD (0.66) L3MBTL1SCDMAPTHSD17B10SMN1; SMN2
SCHEMBL3672501 0.85 KDM4E (0.58) L3MBTL1SCDSMN1; SMN2LMNAPANK3
SCHEMBL3672562 0.84 SCD (0.54) SCDMAPTHSD17B10SMN1; SMN2LMNA
SCHEMBL3670643 0.83 SCD (0.49) L3MBTL1SCDMAPTHSD17B10SMN1; SMN2
SCHEMBL3667556 0.83 HSD17B10 (0.52) L3MBTL1SCDHSD17B10MGLLLMNA
SCHEMBL3672187 0.82 SCD (0.50) SCDSMN1; SMN2MGLLLMNAKDM4E

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 L3MBTL1 1863/4885SCD 10/4885MAPT 2923/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 L3MBTL1 3373/4885SCD 1186/4885MAPT 7/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT L3MBTL1 1863/4885SCD 10/4885MAPT 2923/4885

“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.