SCHEMBL3971995

SCHEMBL3971995

CC(C)N1CCN(c2cccc([N+](=O)[O-])c2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.46
HPN P05981 1/20 0.46
SCN2A Q99250 1/20 0.44
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
SLC6A3 Q01959 1/20 0.43
BCL2A1 Q16548 1/20 0.41
GAA P10253 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
SCHEMBL4256391 0.94 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4259265 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4079481 0.84 SIRT6 (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2634258 0.83 BCL2A1 (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3974009 0.80 DDB1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4255218 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2634327 0.80 MAPT (0.51) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL11819105 0.78 HPN (0.55) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3980184 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13256438 0.77 NPC1 (0.50) KDM4ETDP1MEN1KMT2AMAPT

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 4 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
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 ALDH1A1 3516/4885KDM4E 882/4885TDP1 107/4885

“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.