SCHEMBL3669604

SCHEMBL3669604

CC(C)CC(C)NC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 1/20 0.57
SCD O00767 2/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MGLL Q99685 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46

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
SCHEMBL3669497 0.90 LMNA (0.57) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3672902 0.87 LMNA (0.55) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3669204 0.87 HDAC3 (0.49) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3677643 0.85 SCD (0.54) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3669808 0.85 SCD (0.68) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3674781 0.85 SCD (0.47) MEN1KMT2AALDH1A1POLBSCD
SCHEMBL3677528 0.84 SCD (0.53) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3675010 0.83 SCD (0.56) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3675227 0.82 LMNA (0.57) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL3670029 0.82 MEN1 (0.60) LMNAHTTMEN1KMT2AALDH1A1

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 LMNA 175/4885HTT 1288/4885MEN1 1428/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 LMNA 369/4885HTT 8/4885MEN1 2723/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT LMNA 175/4885HTT 1288/4885MEN1 1428/4885

“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.