SCHEMBL4075181

SCHEMBL4075181

O=C(CNCCO)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
HDAC1 Q13547 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.49

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
SCHEMBL5112154 0.83 HDAC1 (0.62) HTTHDAC1MEN1KMT2AALDH1A1
SCHEMBL7741358 0.80 MEN1 (0.67) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL9018657 0.80 MEN1 (0.71) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL13715510 0.80 MEN1 (0.61) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL853676 0.79 MEN1 (0.65) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL4262411 0.79 HDAC1 (0.58) HTTHDAC1MEN1KMT2AALDH1A1
SCHEMBL6961735 0.78 RECQL (0.63) LMNAHTTHDAC1MEN1KMT2A
SCHEMBL5478291 0.78 POLB (0.69) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL5913902 0.78 GAA (0.56) LMNAHDAC1MEN1KMT2AALDH1A1
SCHEMBL5118037 0.77 HTT (0.51) LMNAHTTHDAC1MEN1KMT2A

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 LMNA 1837/4885HTT 2644/4885HDAC1 1504/4885

“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.