SCHEMBL934579

SCHEMBL934579

CCOC(=O)/C(O)=C/C(=O)c1ccc(OCCOC)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
MAPT P10636 4/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
PLK1 P53350 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
SCHEMBL934581 1.00 HRH2 (0.46) HRH2HRH1MAPTRAB9AL3MBTL1
SCHEMBL12860193 0.89 TP53 (0.52) HRH2HRH1MAPTTP53TSHR
SCHEMBL1063459 0.88 GAA (0.49) HRH2HRH1L3MBTL1TDP1MAOB
SCHEMBL1063458 0.88 GAA (0.49) HRH2HRH1L3MBTL1TDP1MAOB
SCHEMBL934270 0.88 MAOB (0.54) MAPTRAB9AMAOBMAOAPKM
SCHEMBL934271 0.88 MAOB (0.54) MAPTRAB9AMAOBMAOAPKM
SCHEMBL934677 0.85 CYP1A2 (0.55) MAPTRAB9AMAOBMAOAHTT
SCHEMBL934675 0.85 CYP1A2 (0.55) MAPTRAB9AMAOBMAOAHTT
SCHEMBL17203947 0.85 CYP1A2 (0.55) MAPTRAB9AMAOBMAOAHTT
SCHEMBL1064741 0.84 PLA2G4B (0.46) HRH2HRH1MAPTL3MBTL1MAOB

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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL HRH2 3694/4885HRH1 2931/4885MAPT 25/4885

“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.