SCHEMBL3673446

SCHEMBL3673446

CC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
SCD O00767 3/20 0.48
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MGLL Q99685 2/20 0.42
PANK3 Q9H999 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL3672107 0.93 L3MBTL1 (0.50) HSD17B10SCDLMNAKDM4EALDH1A1
SCHEMBL3667556 0.90 HSD17B10 (0.52) HSD17B10SCDLMNATP53ALOX15
SCHEMBL3674781 0.87 SCD (0.47) HSD17B10SCDALOX15KDM4EALDH1A1
SCHEMBL3673439 0.85 SCD (0.66) HSD17B10SCDLMNATP53ALOX15
SCHEMBL3672562 0.84 SCD (0.54) HSD17B10SCDLMNAKDM4EALDH1A1
SCHEMBL3672501 0.83 KDM4E (0.58) SCDLMNAKDM4EALDH1A1CYP1A2
SCHEMBL3669540 0.83 L3MBTL1 (0.49) HSD17B10SCDLMNAKDM4EALDH1A1
SCHEMBL3667573 0.83 HSD17B10 (0.52) HSD17B10SCDLMNATP53ALOX15
SCHEMBL3672187 0.82 SCD (0.50) SCDLMNAKDM4EALDH1A1CYP1A2
SCHEMBL3675010 0.81 SCD (0.56) SCDLMNATSHRKDM4EALDH1A1

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 HSD17B10 836/4885SCD 10/4885LMNA 175/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 HSD17B10 3221/4885SCD 1186/4885LMNA 369/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT HSD17B10 836/4885SCD 10/4885LMNA 175/4885

“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.