SCHEMBL3536058

SCHEMBL3536058

CCC(C)(C)NC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPK1 P28482 1/20 0.55
THRB P10828 1/20 0.55
RAB9A P51151 3/20 0.54
HDAC3 O15379 1/20 0.54
HDAC2 Q92769 1/20 0.54
NPC1 O15118 1/20 0.54
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HIF1A Q16665 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ROCK2 O75116 1/20 0.50

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
SCHEMBL19379990 0.88 HDAC1 (0.55) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL2930614 0.88 THRB (0.59) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL10896464 0.86 HDAC1 (0.54) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL14082575 0.84 MKNK1 (0.63) RAB9ANPC1LMNAGAAALDH1A1
SCHEMBL2732281 0.83 HDAC1 (0.62) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL31268672 0.83 HDAC1 (0.62) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL10898094 0.82 SMN1; SMN2 (0.51) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL11985607 0.82 HDAC1 (0.52) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL15638588 0.81 SMN1; SMN2 (0.53) HDAC1HDAC6SMN1; SMN2MAPK1THRB
SCHEMBL1234255 0.81 HDAC1 (0.59) HDAC1HDAC6SMN1; SMN2MAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-7838540-B2 3-aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-11-23 US disclosed
US-20070161684-A1 3-Aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors SIMITHKLINE BEECHMAN CORPORATION (US) 2007-07-12 US disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 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-20070161684-A1 3-Aminocarbonyl, 6-phenyl substituted pyridine-1-oxides as p38 kinase inhibitors MAPK1, MAPK3, MAPKAPK2 HDAC1 580/4885HDAC6 431/4885SMN1; SMN2 2258/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS HDAC1 1777/4885HDAC6 1627/4885SMN1; SMN2 3555/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS HDAC1 1777/4885HDAC6 1627/4885SMN1; SMN2 3555/4885

“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.