SCHEMBL933237

SCHEMBL933237

CCOC(=O)C(O)=CC(=O)c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A1 P04798 5/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2D6 P10635 5/20 0.43
CYP1B1 Q16678 5/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
NAPRT Q6XQN6 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
SCHEMBL933235 1.00 MAPT (0.45) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL4016111 0.85 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL3578987 0.85 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL3578988 0.85 MAPT (0.54) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6115744 0.84 ALDH1A1 (0.48) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL6115747 0.84 ALDH1A1 (0.48) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL1058879 0.82 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL1058878 0.82 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1KDM4E
SCHEMBL2239090 0.82 POLB (0.46) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL2239088 0.82 POLB (0.46) MAPTKMT2AALDH1A1MEN1GAA

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 MAPT 25/4885KMT2A 2787/4885ALDH1A1 1657/4885

“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.