SCHEMBL3974873

SCHEMBL3974873

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
HPN P05981 1/20 0.46
P2RX7 Q99572 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.44
SCN2A Q99250 1/20 0.44
ENPP2 Q13822 2/20 0.43

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
SCHEMBL3974870 1.00 MEN1 (0.48) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL3974684 0.84 AKR1C3 (0.47) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL5119617 0.83 MAPT (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL30998103 0.83 MAPT (0.55) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2634258 0.80 BCL2A1 (0.52) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2649801 0.80 MAPT (0.64) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2649799 0.80 MAPT (0.64) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL15988360 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1P2RX7RAB9A
SCHEMBL21805774 0.79 P2RX7 (0.49) MEN1KMT2AALDH1A1HPGDP2RX7
SCHEMBL11819105 0.78 HPN (0.55) MEN1KMT2AMAPTLMNAALDH1A1

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 MEN1 319/4885KMT2A 557/4885MAPT 338/4885

“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.