SCHEMBL3676846

SCHEMBL3676846

CCOCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
KDM4E B2RXH2 3/20 0.54
SCD O00767 2/20 0.53
HPGD P15428 3/20 0.52
LMNA P02545 4/20 0.51
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
NAMPT P43490 1/20 0.48
PRKAA2 P54646 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
MGLL Q99685 1/20 0.45

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
SCHEMBL3676782 0.94 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3676243 0.92 MEN1 (0.59) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3674287 0.91 SCD (0.52) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3677471 0.90 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3667551 0.89 SCD (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3668005 0.89 MEN1 (0.60) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3669647 0.88 MEN1 (0.59) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3668360 0.86 SCD (0.73) SMN1; SMN2KDM4ESCDLMNA
SCHEMBL3666678 0.85 MEN1 (0.58) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3677531 0.85 SCD (0.51) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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 MEN1 1428/4885KMT2A 3998/4885CYP1A2 1889/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 MEN1 2723/4885KMT2A 3153/4885CYP1A2 4661/4885
US-20090197894-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NAMPT, NNT, NNMT MEN1 1428/4885KMT2A 3998/4885CYP1A2 1889/4885

“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.