SCHEMBL2019176

SCHEMBL2019176

CN(C)C(=O)c1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.58
ERN1 O75460 6/20 0.49
APP P05067 1/20 0.49
HDAC6 Q9UBN7 1/20 0.45
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PGR P06401 1/20 0.41
RORC P51449 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2016057 0.82 PRF1 (0.56) PRF1APPHDAC6CYP2E1CYP3A4
SCHEMBL2015912 0.80 APP (0.54) PRF1ERN1APPHDAC6CYP2E1
SCHEMBL2018299 0.79 PRF1 (0.60) PRF1APPHDAC6CYP2E1CYP3A4
SCHEMBL2015377 0.79 PRF1 (0.56) PRF1ERN1APPCYP2E1CYP3A4
SCHEMBL608586 0.78 PRF1 (0.60) PRF1ERN1APPCYP2E1CYP3A4
SCHEMBL5012732 0.78 HDAC6 (0.50) PRF1ERN1HDAC6CYP3A4CYP2C19
SCHEMBL11937048 0.77 APP (0.62) PRF1APPCYP2E1CYP3A4CYP2A6
SCHEMBL25339850 0.76 APP (0.69) PRF1ERN1APPHDAC6CYP2E1
SCHEMBL10331340 0.75 PRF1 (0.46) PRF1ERN1HDAC6CYP3A4CYP2C9
SCHEMBL5420514 0.75 RAB9A (0.58) PRF1HDAC6ALDH1A1HPGDMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885ERN1 1616/4885APP 424/4885

“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.