SCHEMBL4075183

SCHEMBL4075183

O=C(CNc1ccc([N+](=O)[O-])cc1)NCCO

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GLA P06280 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
MAPT P10636 7/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 3/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL5118037 0.91 HTT (0.51) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL10753297 0.83 MAPT (0.65) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5112156 0.83 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1024700 0.82 MAPT (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL9543117 0.82 MAPT (0.52) ALDH1A1GLASMN1; SMN2HPGDALOX12
Ammonia Solution, Strong SCHEMBL27496286 0.80 ABCG2 (0.61) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL11022003 0.80 MAPT (0.59) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL16306796 0.78 MAPT (0.66) ALDH1A1GLASMN1; SMN2HPGDALOX12
SCHEMBL5478291 0.78 POLB (0.69) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2510372 0.78 KMT2A (0.56) ALDH1A1GLASMN1; SMN2MAPTMEN1

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 ALDH1A1 3516/4885GLA 1229/4885SMN1; SMN2 4119/4885

“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.