SCHEMBL3671839

SCHEMBL3671839

COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NC(C)CC(C)C)cn3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.46
FASN P49327 2/20 0.41
GPR6 P46095 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
KRAS P01116 1/20 0.40
PRKAA2 P54646 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ME2 P23368 1/20 0.39
ME1 P48163 1/20 0.39
ME3 Q16798 1/20 0.39
NAMPT P43490 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3670264 0.91 SCD (0.45) SCDFASNGPR6HPGDKMT2A
SCHEMBL3669713 0.87 KMT2A (0.51) SCDGPR6HPGDKMT2AMAPK1
SCHEMBL3675983 0.86 SCD (0.62) SCDGPR6HPGDKMT2AMAPK1
SCHEMBL3675010 0.86 SCD (0.56) SCDHPGDKMT2AMAPK1ALDH1A1
SCHEMBL3669435 0.84 SCD (0.47) SCDFASNGPR6HPGDKMT2A
SCHEMBL3673770 0.83 SCD (0.49) SCDGPR6HPGDALDH1A1NAMPT
SCHEMBL3678636 0.82 SCD (0.48) SCDGPR6EGLN1
SCHEMBL3676792 0.82 SCD (0.48) SCDGPR6HPGDKMT2AMAPK1
SCHEMBL3670636 0.81 SCD (0.47) SCDKMT2AEGLN1
SCHEMBL3671639 0.81 SCD (0.47) SCDGPR6KMT2ANAMPT

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 10/4885FASN 77/4885GPR6 1316/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885FASN 1034/4885GPR6 2775/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885FASN 77/4885GPR6 1316/4885

“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.