SCHEMBL3670264

SCHEMBL3670264

CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)c3cc(OC)ccc3Br)CC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.45
KRAS P01116 1/20 0.42
EGLN1 Q9GZT9 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GPR6 P46095 1/20 0.41
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPK1 P28482 1/20 0.40
FASN P49327 2/20 0.39
PRKAA2 P54646 1/20 0.39

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
SCHEMBL3671839 0.91 SCD (0.46) SCDKRASEGLN1KMT2AGPR6
SCHEMBL3669713 0.90 KMT2A (0.51) SCDKMT2AMEN1GPR6HPGD
SCHEMBL3676792 0.86 SCD (0.48) SCDEGLN1KMT2AMEN1GPR6
SCHEMBL3671773 0.86 SCD (0.55) SCDKMT2AMEN1HPGDMAPK1
SCHEMBL3675983 0.86 SCD (0.62) SCDKRASKMT2AGPR6HPGD
SCHEMBL3669435 0.85 SCD (0.47) SCDKRASEGLN1KMT2AMEN1
SCHEMBL3670636 0.84 SCD (0.47) SCDEGLN1KMT2AMEN1
SCHEMBL3671639 0.83 SCD (0.47) SCDKMT2AMEN1GPR6
SCHEMBL3676232 0.82 MAPT (0.48) SCDEGLN1KMT2AMEN1GPR6
SCHEMBL3673770 0.82 SCD (0.49) SCDEGLN1GPR6HPGD

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 SCD 10/4885KRAS 4504/4885EGLN1 2179/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885KRAS 3778/4885EGLN1 2901/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885KRAS 4504/4885EGLN1 2179/4885

“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.