SCHEMBL4079481

SCHEMBL4079481

CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
LMNA P02545 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
ESRRG P62508 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SCN2A Q99250 1/20 0.38

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
SCHEMBL4255218 0.95 ALDH1A1 (0.46) SIRT6MAPTALDH1A1KDM4ETDP1
SCHEMBL3971995 0.84 ALDH1A1 (0.52) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL854112 0.81 SIRT6 (0.59) SIRT6MAPTALDH1A1CTSGCMA1
SCHEMBL23176630 0.80 LMNA (0.44) MAPTALDH1A1KDM4ECTSGCMA1
SCHEMBL3973870 0.80 HRH3 (0.41) MAPTALDH1A1KDM4EPOLBESRRG
SCHEMBL17108484 0.80 MAPT (0.49) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL4256391 0.79 ALDH1A1 (0.47) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL13256438 0.79 NPC1 (0.50) MAPTKDM4ETDP1KCNH2MEN1
SCHEMBL7832831 0.78 SIRT6 (0.38) SIRT6MAPTALDH1A1KDM4ETDP1
SCHEMBL374834 0.77 SIRT6 (0.68) SIRT6MAPTALDH1A1KDM4EPOLB

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 SIRT6 3077/4885MAPT 338/4885ALDH1A1 3516/4885

“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.