SCHEMBL6115685

SCHEMBL6115685

COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(C)nn3)C2c2ccc(C(C)C)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ANXA2 P07355 1/20 0.47
S100A10 P60903 1/20 0.47
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
HIF1A Q16665 2/20 0.45
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARG P37231 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
KEAP1 Q14145 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
SCHEMBL934128 0.89 RXFP1 (0.54) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL6115736 0.89 RXFP1 (0.50) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL933569 0.88 RXFP1 (0.54) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL6115987 0.86 RXFP1 (0.51) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL934172 0.86 RXFP1 (0.56) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL933761 0.83 RXFP1 (0.53) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL6115462 0.83 RXFP1 (0.53) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL6115888 0.83 RXFP1 (0.49) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL934116 0.82 RXFP1 (0.52) RXFP1KDM4ETDP1CRHBPCRHR2
SCHEMBL934838 0.82 RXFP1 (0.52) RXFP1KDM4ETDP1CRHBPCRHR2

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 4 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
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
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
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 RXFP1 4001/4885KDM4E 4018/4885TDP1 1199/4885

“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.