SCHEMBL1870060

SCHEMBL1870060

CC(=O)Oc1ccc(NC=O)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.41
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
TTR P02766 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 3/20 0.38
PRKCI P41743 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GLA P06280 2/20 0.38

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
SCHEMBL6498572 0.81 KDM4E (0.52) KDM4ELMNAMEN1KMT2ACYP3A4
SCHEMBL1876722 0.77 MAPT (0.49) LMNAMEN1KMT2AMAPTTP53
SCHEMBL7986433 0.76 GAA (0.62) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8147687 0.76 FLT3 (0.53) CYP19A1KDM4ELMNAMEN1KMT2A
SCHEMBL12882280 0.74 MAPT (0.44) LMNAMAPTSMN1; SMN2CA12CA9
SCHEMBL11577876 0.73 TSHR (0.54) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL3049927 0.73 LMNA (0.48) CYP19A1KDM4ELMNAMEN1KMT2A
SCHEMBL3675934 0.73 KDM4E (0.58) CYP19A1KDM4ELMNAMEN1KMT2A
SCHEMBL907659 0.73 ACHE (0.59) CYP19A1KDM4ELMNAMEN1KMT2A
SCHEMBL2831697 0.73 MAPT (0.58) KDM4ELMNAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
EP-1943226-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-16 EP disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 WO disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 OR51E2 188/4885CYP19A1 460/4885KDM4E 2700/4885

“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.