SCHEMBL3674890

SCHEMBL3674890

CCSCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
DRD4 P21917 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK8 P45983 2/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MGLL Q99685 1/20 0.41
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3675782 0.93 SCD (0.53) SCDDRD4HSD17B10MAPK8ALDH1A1
SCHEMBL3679411 0.89 L3MBTL1 (0.51) SCDL3MBTL1DRD4HSD17B10MAPK8
SCHEMBL3675682 0.88 SCD (0.50) SCDL3MBTL1DRD4HSD17B10MAPK8
SCHEMBL3668967 0.88 SCD (0.47) SCDDRD4MAPK8ALDH1A1SMN1; SMN2
SCHEMBL3669470 0.88 CNR1 (0.50) SCDL3MBTL1DRD4HSD17B10MAPK8
SCHEMBL3673062 0.86 LMNA (0.56) SCDL3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3672523 0.86 SCD (0.66) SCDL3MBTL1DRD4HSD17B10MAPK8
SCHEMBL3675677 0.86 SCD (0.49) SCDL3MBTL1DRD4HSD17B10ALDH1A1
SCHEMBL3673965 0.86 SCD (0.53) SCDHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL3671870 0.85 SCD (0.47) SCDL3MBTL1DRD4HSD17B10ALDH1A1

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 10/4885L3MBTL1 1863/4885DRD4 1987/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885L3MBTL1 3373/4885DRD4 4058/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885L3MBTL1 1863/4885DRD4 1987/4885

“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.