SCHEMBL3666518

SCHEMBL3666518

COCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.57
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 6/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
EGLN1 Q9GZT9 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
FOLH1 Q04609 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3666514 0.92 SCD (0.59) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3667713 0.92 HPGD (0.56) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3668264 0.91 SCD (0.54) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL14172994 0.91 SCD (0.59) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3672620 0.90 SCD (0.58) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3672865 0.89 SCD (0.57) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3675618 0.88 SCD (0.56) SCDKMT2AMEN1ALDH1A1LMNA
SCHEMBL3668221 0.88 SCD (0.56) SCDKMT2AALDH1A1GAALMNA
SCHEMBL3678636 0.88 SCD (0.48) SCDEGLN1DRD2DRD4DRD3
SCHEMBL3670603 0.87 SCD (0.68) SCDKMT2AMEN1ALDH1A1LMNA

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 10/4885KMT2A 3998/4885MEN1 1428/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885KMT2A 3153/4885MEN1 2723/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885KMT2A 3998/4885MEN1 1428/4885

“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.