SCHEMBL5586271

SCHEMBL5586271

NC(=O)c1ccc(N2CCN(C(=O)Cc3ccc4ccccc4c3)CC2)nc1CCc1cccc(Cl)c1.O=C(NCCCCc1ccccc1)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.46
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MAPK8 P45983 1/20 0.38
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
TGM2 P21980 3/20 0.36
PARP1 P09874 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 1/20 0.36
ME2 P23368 1/20 0.35
ME1 P48163 1/20 0.35
ME3 Q16798 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL3676046 0.92 SCD (0.54) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3676071 0.83 ALDH1A1 (0.53) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3669356 0.82 NPC1 (0.51) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL5550190 0.82 ATM (0.43) ALDH1A1KMT2AME2ME1ME3
SCHEMBL3670665 0.81 SCD (0.62) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3669524 0.81 SCD (0.66) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3677858 0.79 SCD (0.67) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3670648 0.78 ALDH1A1 (0.60) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3674006 0.77 SCD (0.73) SCDALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3675257 0.76 SCD (0.61) SCDALDH1A1SMN1; SMN2NPC1MAPT

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 3 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 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 (2 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 10/4885ALDH1A1 1127/4885SMN1; SMN2 112/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885SMN1; SMN2 123/4885

“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.