SCHEMBL3407375

SCHEMBL3407375

CC(C)CCNC(=O)c1ccc(Cl)nc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
GRM5 P41594 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
NAMPT P43490 1/20 0.53
HTT P42858 1/20 0.52
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3409371 0.85 HPGD (0.59) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5434689 0.84 KDM4E (0.67) SMN1; SMN2RAB9ANPC1GRM5KMT2A
SCHEMBL3407381 0.83 RAB9A (0.65) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL13450864 0.82 EPHX2 (0.69) SMN1; SMN2RAB9ANPC1GRM5MEN1
SCHEMBL5948060 0.82 EPHX2 (0.72) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL13876398 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1GRM5LMNA
SCHEMBL17887994 0.81 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1GRM5LMNA
SCHEMBL20641182 0.80 RAB9A (0.65) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8288231 0.80 RAB9A (0.65) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL10099552 0.80 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 US disclosed
US-7709506-B2 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC (US) 2010-05-04 US disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 US disclosed
US-7390813-B1 Pyridylpiperazines and aminonicotinamides and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-06-24 US disclosed
EP-1864975-A2 Novel compounds SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
EP-1474395-B1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-10-17 EP disclosed
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-12-07 US disclosed
US-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors SMITHKLINE BEECHAM CORPORATION 2006-11-23 US disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 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 (4 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-20060264479-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 SMN1; SMN2 1259/4885RAB9A 1389/4885NPC1 1358/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 SMN1; SMN2 1259/4885RAB9A 1389/4885NPC1 1358/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 SMN1; SMN2 1380/4885RAB9A 1582/4885NPC1 1409/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 SMN1; SMN2 1259/4885RAB9A 1389/4885NPC1 1358/4885

“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.