SCHEMBL3429182

SCHEMBL3429182

NC(=O)c1cccnc1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 3/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PARP15 Q460N3 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ROCK2 O75116 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CD38 P28907 1/20 0.40

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
SCHEMBL4179466 1.00 PARP1 (0.43) PARP1PARP10TP53CNR1CNR2
SCHEMBL22583344 0.92 PARP1 (0.46) PARP1ROCK2KDM4EALDH1A1SYK
SCHEMBL31678664 0.92 PARP1 (0.46) PARP1ROCK2KDM4EALDH1A1SYK
SCHEMBL2751335 0.87 KDM5B (0.49) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL5077143 0.86 SYK (0.45) PARP1CNR1CNR2KDM4EALDH1A1
SCHEMBL31660119 0.86 SYK (0.45) PARP1CNR1CNR2KDM4EALDH1A1
SCHEMBL2750454 0.79 CYP19A1 (0.49) PARP1SYK
SCHEMBL6979526 0.76 POLB (0.52) PARP1KDM4ESYK
SCHEMBL2713154 0.75 KDM4E (0.59) CNR1CNR2KDM4EALDH1A1NPC1
SCHEMBL6195932 0.75 PARP10 (0.41) PARP10TP53PARP15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US 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-7514456-B2 Nicotinamide derivatives useful as p38 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US 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-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 US disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 US disclosed
EP-0295833-A1 Aromatic-Spiropiperidine oxazepinones (and thiones) A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-12-21 EP 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 (5 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 PARP1 1139/4885PARP10 1814/4885TP53 3047/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 PARP1 1119/4885PARP10 1738/4885TP53 3130/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 PARP1 1139/4885PARP10 1814/4885TP53 3047/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 PARP1 1119/4885PARP10 1738/4885TP53 3130/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 PARP1 1139/4885PARP10 1814/4885TP53 3047/4885

“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.