SCHEMBL3667896

SCHEMBL3667896

COc1ccc(Br)c(C(=O)N2CCN(c3ccc(C(=O)NCCc4ccccc4)cn3)CC2)c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.63
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
TP53 P04637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
DRD4 P21917 2/20 0.46
DCTPP1 Q9H773 1/20 0.46
GPR6 P46095 1/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL2622409 0.95 SCD (0.57) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL30503203 0.95 SCD (0.57) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3677104 0.94 SCD (0.56) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3672001 0.91 SCD (0.53) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3467667 0.89 SCD (0.58) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3676792 0.87 SCD (0.48) SCDLMNAHPGDKMT2AMEN1
SCHEMBL3678636 0.87 SCD (0.48) SCDDRD4GPR6
SCHEMBL3669713 0.87 KMT2A (0.51) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3675910 0.87 SCD (0.75) SCDMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3675983 0.87 SCD (0.62) SCDMAPTSMN1; SMN2NPC1ALDH1A1

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 10/4885MAPT 2923/4885SMN1; SMN2 112/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885MAPT 7/4885SMN1; SMN2 123/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885MAPT 2923/4885SMN1; SMN2 112/4885

“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.