SCHEMBL5727862

SCHEMBL5727862

COC(N[C]=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
ACP3 P15309 1/20 0.33

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
SCHEMBL28070949 0.79 L3MBTL1 (0.40) KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5705672 0.76 KMT2A (0.45) KMT2ATHRBTSHRALDH1A1GAA
SCHEMBL15422792 0.74 KMT2A (0.43) KMT2ATHRBTSHRALDH1A1CYP3A4
SCHEMBL834442 0.72 HSD17B10 (0.44) KMT2AALDH1A1GAACYP3A4L3MBTL1
SCHEMBL5564914 0.72 HSD17B10 (0.44) KMT2AALDH1A1GAACYP3A4L3MBTL1
SCHEMBL701331 0.72 KMT2A (0.42) KMT2ATHRBTSHRALDH1A1GAA
SCHEMBL2074934 0.72 HSD17B10 (0.44) KMT2AALDH1A1GAACYP3A4L3MBTL1
SCHEMBL27292943 0.72 AOC3 (0.42) KMT2ATSHRSMN1; SMN2EPHX1
SCHEMBL14675504 0.72 KMT2A (0.52) KMT2ATSHRALDH1A1GAAL3MBTL1
SCHEMBL8505415 0.72 KMT2A (0.56) KMT2ATSHRALDH1A1CYP3A4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691803-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-08-23 EP disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005056004-A1 N-ALKYL PYRROLES AS HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 KMT2A 2864/4885THRB 3677/4885TSHR 4331/4885

“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.