SCHEMBL3677589

SCHEMBL3677589

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

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGLN1 Q9GZT9 2/20 0.48
SCD O00767 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD4 P21917 1/20 0.44
TP53 P04637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 2/20 0.43
GPR6 P46095 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP30 Q70CQ3 2/20 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
SCHEMBL3676232 0.95 MAPT (0.48) HPGDSMN1; SMN2EGLN1SCDNPC1
SCHEMBL3678636 0.93 SCD (0.48) EGLN1SCDDRD4GPR6
SCHEMBL3676792 0.92 SCD (0.48) HPGDEGLN1SCDDRD4KMT2A
SCHEMBL3670636 0.91 SCD (0.47) EGLN1SCDDRD4KMT2AMEN1
SCHEMBL3673770 0.90 SCD (0.49) HPGDEGLN1SCDRAB9ADRD4
SCHEMBL3671639 0.90 SCD (0.47) SCDNPC1RAB9ADRD4KMT2A
SCHEMBL3671883 0.88 EGLN1 (0.47) HPGDEGLN1SCDNPC1RAB9A
SCHEMBL3667713 0.88 HPGD (0.56) HPGDSMN1; SMN2EGLN1SCDNPC1
SCHEMBL30503203 0.86 SCD (0.57) HPGDSMN1; SMN2SCDNPC1RAB9A
SCHEMBL2622409 0.86 SCD (0.57) HPGDSMN1; SMN2SCDNPC1RAB9A

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 HPGD 104/4885SMN1; SMN2 112/4885EGLN1 2179/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 HPGD 3301/4885SMN1; SMN2 123/4885EGLN1 2901/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT HPGD 104/4885SMN1; SMN2 112/4885EGLN1 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.