SCHEMBL8776231

SCHEMBL8776231

O=C(C1=C(O)C(=O)N(c2cc(Br)ccn2)C1c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.47
KDM4E B2RXH2 6/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 5/20 0.44
PPARG P37231 3/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOR2 Q9Y618 2/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8776252 0.93 RXFP1 (0.48) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8776238 0.90 MAPT (0.54) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL1944068 0.86 RXFP1 (0.58) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8776183 0.85 MAPT (0.57) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8861815 0.81 RXFP1 (0.40) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8776230 0.78 RXFP1 (0.56) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL12943326 0.78 RXFP1 (0.55) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8776240 0.78 RXFP1 (0.53) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8776214 0.77 RXFP1 (0.54) RXFP1KDM4EMAPTMEN1KMT2A
SCHEMBL8862343 0.77 GAA (0.43) RXFP1KDM4EMAPTMEN1KMT2A

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 2 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
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 4018/4885MAPT 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.