SCHEMBL3975764

SCHEMBL3975764

CN(C)/C=C/C(=O)c1ccc(C(=O)NCCCN2CCOCC2)s1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GAA P10253 2/20 0.56
GLA P06280 1/20 0.56
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
STAT3 P40763 1/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3975773 1.00 MEN1 (0.64) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL3980169 0.83 MEN1 (0.74) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL280406 0.82 MEN1 (0.76) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL14618774 0.81 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL279608 0.81 MEN1 (0.74) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL12313823 0.80 MEN1 (0.72) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL14395498 0.80 MEN1 (0.72) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL20618526 0.78 KMT2A (0.74) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL12265881 0.78 MEN1 (0.69) MEN1KMT2AL3MBTL1GAAGLA
SCHEMBL2230534 0.78 MEN1 (0.69) MEN1KMT2AL3MBTL1GAAGLA

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
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 (1 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB MEN1 319/4885KMT2A 557/4885L3MBTL1 3354/4885

“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.