SCHEMBL3676725

SCHEMBL3676725

O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.67
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 2/20 0.63
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SLC2A1 P11166 1/20 0.47
CXCR3 P49682 1/20 0.47
DCTPP1 Q9H773 1/20 0.47
HDAC1 Q13547 1/20 0.47
P2RY12 Q9H244 1/20 0.47
NAMPT P43490 1/20 0.46
MAPK8 P45983 1/20 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
SCHEMBL3666489 0.94 SCD (0.60) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3676787 0.94 SCD (0.59) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3672166 0.93 SCD (0.58) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3670741 0.87 SCD (0.68) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3670789 0.87 SCD (0.68) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3668980 0.86 SCD (0.67) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3674906 0.85 SCD (0.73) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3672891 0.84 LMNA (0.59) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3677231 0.84 SCD (0.49) SCDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3679205 0.84 SCD (0.77) SCDALDH1A1NPC1RAB9ASMN1; SMN2

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 10/4885ALDH1A1 1127/4885NPC1 94/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 SCD 1186/4885ALDH1A1 3898/4885NPC1 31/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT SCD 10/4885ALDH1A1 1127/4885NPC1 94/4885

“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.