SCHEMBL3669713

SCHEMBL3669713

COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NC(C)CCc4ccccc4)cn3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
SCD O00767 2/20 0.48
LMNA P02545 3/20 0.48
HSP90AA1 P07900 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
GPR6 P46095 1/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3670264 0.90 SCD (0.45) KMT2AMEN1SCDTAS1R3TAS1R1
SCHEMBL3667896 0.87 SCD (0.63) KMT2AMEN1SCDLMNASMN1; SMN2
SCHEMBL3671839 0.87 SCD (0.46) KMT2ASCDSMN1; SMN2HTTGPR6
SCHEMBL2622409 0.86 SCD (0.57) KMT2ASCDLMNASMN1; SMN2HTT
SCHEMBL30503203 0.86 SCD (0.57) KMT2ASCDLMNASMN1; SMN2HTT
SCHEMBL3677104 0.85 SCD (0.56) KMT2AMEN1SCDLMNAHSP90AA1
SCHEMBL3675983 0.82 SCD (0.62) KMT2ASCDLMNASMN1; SMN2GPR6
SCHEMBL3672604 0.82 LMNA (0.53) KMT2AMEN1SCDLMNAHSP90AA1
SCHEMBL3672902 0.82 LMNA (0.55) KMT2AMEN1SCDLMNAHSP90AA1
SCHEMBL3669617 0.81 SCD (0.53) KMT2AMEN1SCDLMNAHSP90AA1

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 KMT2A 3998/4885MEN1 1428/4885SCD 10/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 KMT2A 3153/4885MEN1 2723/4885SCD 1186/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT KMT2A 3998/4885MEN1 1428/4885SCD 10/4885

“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.