SCHEMBL3669356

SCHEMBL3669356

O=C(NCCc1cccc(Cl)c1)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
SCD O00767 1/20 0.51
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ME2 P23368 1/20 0.46
ME1 P48163 1/20 0.46
ME3 Q16798 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL3670648 0.92 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3676046 0.90 SCD (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3667710 0.89 SCD (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3671518 0.88 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3676071 0.87 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3669219 0.85 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3674850 0.85 SLC6A4 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3673521 0.84 SLC6A4 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3670641 0.84 SLC6A4 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3676265 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 WO 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 (2 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 NPC1 94/4885RAB9A 1717/4885SMN1; SMN2 112/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT NPC1 94/4885RAB9A 1717/4885SMN1; SMN2 112/4885

“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.