SCHEMBL3672417

SCHEMBL3672417

O=C(NCCc1cnc[nH]1)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.57
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.49
NAMPT P43490 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 2/20 0.47
MYC P01106 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BRD4 O60885 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
SCHEMBL3669396 0.88 SCD (0.55) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3672668 0.87 SCD (0.76) SCD
SCHEMBL3669387 0.87 SCD (0.54) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3674846 0.86 CYP3A4 (0.47) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3675910 0.86 SCD (0.75) SCDKMT2AMEN1ALDH1A1NPC1
SCHEMBL3670764 0.84 CYP3A4 (0.54) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3675638 0.84 LMNA (0.53) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3676509 0.83 SCD (0.50) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3669803 0.83 SCD (0.49) SCDKMT2AMEN1ALDH1A1NAMPT
SCHEMBL3670389 0.83 SCD (0.51) SCDKMT2AMEN1ALDH1A1NAMPT

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 7 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-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.