SCHEMBL3673436

SCHEMBL3673436

CCOCCCNC(=O)c1ccc(N2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.46
SLC2A1 P11166 1/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
SCD O00767 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 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
SCHEMBL3679122 0.94 KMT2A (0.46) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3669157 0.93 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3668201 0.91 KMT2A (0.49) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3667707 0.91 TP53 (0.48) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3668960 0.90 KMT2A (0.48) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3677830 0.90 KMT2A (0.48) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3669635 0.87 KMT2A (0.47) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3673514 0.85 SCD (0.53) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3669471 0.85 KMT2A (0.47) KMT2ASMN1; SMN2MEN1MAPTSLC2A1
SCHEMBL3669155 0.85 SCD (0.57) KMT2ASMN1; SMN2MEN1MAPTSLC2A1

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 3998/4885SMN1; SMN2 112/4885MEN1 1428/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 KMT2A 3153/4885SMN1; SMN2 123/4885MEN1 2723/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT KMT2A 3998/4885SMN1; SMN2 112/4885MEN1 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.