SCHEMBL3973449

SCHEMBL3973449

CN(C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP19A1 P11511 1/20 0.59
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
ALOX15 P16050 1/20 0.56
CA1 P00915 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
SFRP1 Q8N474 1/20 0.53

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
SCHEMBL4633730 0.92 KMT2A (0.76) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL10495986 0.91 KMT2A (0.74) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL10405451 0.85 ALOX15 (0.59) MEN1KMT2AALDH1A1CA2CA12
SCHEMBL2034554 0.85 KMT2A (0.78) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL5152165 0.85 KMT2A (0.78) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL1667635 0.85 CA2 (0.68) MEN1KMT2ACYP19A1ALDH1A1CA2
Dinsed SCHEMBL1814194 0.85 KMT2A (1.00) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL4070269 0.84 KMT2A (0.76) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL4005831 0.83 MEN1 (0.74) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1
SCHEMBL5149362 0.83 KMT2A (0.78) MEN1KMT2ACYP19A1ALDH1A1L3MBTL1

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 557/4885CYP19A1 887/4885

“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.