SCHEMBL933547

SCHEMBL933547

Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C(C)C)cc3)[C@H]2c2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.51
KDM4E B2RXH2 4/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.41
ANXA2 P07355 2/20 0.40
S100A10 P60903 2/20 0.40
MAP3K5 Q99683 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MDM2 Q00987 3/20 0.37
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
MDM4 O15151 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL934193 1.00 RXFP1 (0.51) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL6115999 1.00 RXFP1 (0.51) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL934222 0.94 RXFP1 (0.49) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL933115 0.94 RXFP1 (0.49) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL933452 0.94 RXFP1 (0.49) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL6115785 0.93 RXFP1 (0.45) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL934172 0.92 RXFP1 (0.56) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL6116461 0.91 RXFP1 (0.48) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL933687 0.90 RXFP1 (0.52) RXFP1KDM4ECRHBPCRHR2TDP1
SCHEMBL8777641 0.90 MAPT (0.46) RXFP1KDM4ECRHBPCRHR2TDP1

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 6 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
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
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 4018/4885CRHBP 1733/4885

“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.