SCHEMBL3674847

SCHEMBL3674847

CCC(C)CNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.57
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 3/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRMT5 O14744 2/20 0.43
NAMPT P43490 2/20 0.43
P2RY12 Q9H244 1/20 0.42
HPGD P15428 1/20 0.41
CA12 O43570 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
SCHEMBL3671237 0.90 SCD (0.56) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3666092 0.87 SCD (0.56) SCDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3671358 0.86 SCD (0.77) SCD
SCHEMBL3666679 0.86 SCD (0.54) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3669435 0.86 SCD (0.47) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3674066 0.86 SCD (0.76) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL14172994 0.85 SCD (0.59) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3672620 0.84 SCD (0.58) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3671773 0.83 SCD (0.55) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL3675227 0.83 LMNA (0.57) SCDMEN1KMT2AALDH1A1MAPT

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 10 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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
CN-1997371-A Nicotinamide derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2007-07-11 CN 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 10/4885MEN1 1428/4885KMT2A 3998/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885MEN1 2723/4885KMT2A 3153/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885MEN1 1428/4885KMT2A 3998/4885

“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.