SCHEMBL3974684

SCHEMBL3974684

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 9/20 0.45
ALDH1A1 P00352 9/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
HTT P42858 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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 0.84 MEN1 (0.48) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3974873 0.84 MEN1 (0.48) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL5093442 0.82 MAPT (0.70) AKR1C3MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL7113761 0.80 CASP6 (0.46) MAPTALDH1A1LMNAHPGD
SCHEMBL162562 0.80 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15988360 0.80 KMT2A (0.52) KMT2AMEN1ALDH1A1
SCHEMBL31129864 0.79 TSHR (0.45) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL18641977 0.79 MAPT (0.47) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL18641976 0.79 MAPT (0.47) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL31349294 0.79 ALDH1A1 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
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
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 AKR1C3 3200/4885KMT2A 557/4885MEN1 319/4885

“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.