SCHEMBL3675682

SCHEMBL3675682

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CNR1 P21554 1/20 0.49
FOLH1 Q04609 1/20 0.44
CXCR3 P49682 2/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD4 P21917 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK8 P45983 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
SCHEMBL3669470 0.99 CNR1 (0.50) SCDL3MBTL1CNR1FOLH1CXCR3
SCHEMBL3679411 0.97 L3MBTL1 (0.51) SCDL3MBTL1CNR1FOLH1CXCR3
SCHEMBL3669401 0.93 SCD (0.54) SCDCNR1FOLH1CXCR3DRD4
SCHEMBL3672871 0.92 SCD (0.47) SCDL3MBTL1CNR1CXCR3POLB
SCHEMBL3668605 0.92 SCD (0.53) SCDCNR1FOLH1CXCR3DRD4
SCHEMBL3675677 0.90 SCD (0.49) SCDL3MBTL1DRD4HSD17B10ALDH1A1
SCHEMBL3676794 0.90 SCD (0.54) SCDCNR1CXCR3DRD4HSD17B10
SCHEMBL3671870 0.90 SCD (0.47) SCDL3MBTL1DRD4HSD17B10ALDH1A1
SCHEMBL3674465 0.89 SCD (0.49) SCDL3MBTL1POLBDRD4HSD17B10
SCHEMBL3674890 0.88 SCD (0.49) SCDL3MBTL1POLBTHRBRECQL

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 1863/4885CNR1 451/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885L3MBTL1 3373/4885CNR1 1333/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885L3MBTL1 1863/4885CNR1 451/4885

“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.