SCHEMBL3668672

SCHEMBL3668672

Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
CXCR3 P49682 1/20 0.44
DRD4 P21917 1/20 0.44
IDO1 P14902 1/20 0.43
NAMPT P43490 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
SCHEMBL3671437 0.90 SCD (0.63) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3675444 0.86 SCD (0.56) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3673519 0.86 SCD (0.58) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3670505 0.85 SCD (0.57) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3672166 0.85 SCD (0.58) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1330392 0.84 RAB9A (0.60) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3671944 0.82 SCD (0.60) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3670172 0.82 SCD (0.60) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3668860 0.82 SCD (0.46) SCDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3670540 0.82 SCD (0.47) SCDNPC1RAB9ASMN1; SMN2ALDH1A1

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 12 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
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 EP disclosed
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-08-06 US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 US disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 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 10/4885NPC1 94/4885RAB9A 1717/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885NPC1 31/4885RAB9A 1976/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885NPC1 94/4885RAB9A 1717/4885

“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.