SCHEMBL3727342

SCHEMBL3727342

CC1(NC(=O)c2cccnc2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
THRB P10828 1/20 0.54
LMNA P02545 1/20 0.50
HIF1A Q16665 1/20 0.50
RORC P51449 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 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
SCHEMBL17033022 0.94 TSHR (0.58) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL20069785 0.86 TSHR (0.51) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL19132844 0.85 THRB (0.51) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL20147648 0.83 TSHR (0.48) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL20147988 0.83 THRB (0.49) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL22857001 0.83 TSHR (0.48) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL27761582 0.81 TSHR (0.55) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL19132700 0.81 RORC (0.47) TSHRHDAC1HDAC6THRBLMNA
SCHEMBL29120775 0.80 LMNA (0.53) HDAC1HDAC6LMNAALDH1A1MEN1
SCHEMBL1841619 0.79 GPR132 (0.64) TSHRHDAC1HDAC6THRBLMNA

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 7 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-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

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 TSHR 3676/4885HDAC1 77/4885HDAC6 194/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 TSHR 3792/4885HDAC1 62/4885HDAC6 140/4885
US-20060276516-A1 Nicotinamide Derivatives Useful as p38 Inhibitors MAPK1, MAPK7, MAPK6 TSHR 3676/4885HDAC1 77/4885HDAC6 194/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 TSHR 3792/4885HDAC1 62/4885HDAC6 140/4885

“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.