SCHEMBL10116955

SCHEMBL10116955

CCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.51
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD11B1 P28845 2/20 0.46
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 2/20 0.43
STING1 Q86WV6 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL10117091 0.95 P2RX3 (0.51) P2RX3L3MBTL1ALDH1A1NPSR1HTT
SCHEMBL10116913 0.93 P2RX3 (0.57) P2RX3RXFP1L3MBTL1HSD11B1NPSR1
SCHEMBL10116821 0.90 MAPT (0.55) P2RX3RXFP1L3MBTL1ALDH1A1NPSR1
SCHEMBL10116931 0.90 P2RX3 (0.49) P2RX3L3MBTL1ALDH1A1NPSR1HTT
SCHEMBL10116888 0.90 P2RX3 (0.49) P2RX3RXFP1HSD11B1ALDH1A1NPSR1
SCHEMBL10117108 0.87 P2RX3 (0.56) P2RX3L3MBTL1ALDH1A1SMN1; SMN2STING1
SCHEMBL10117089 0.86 P2RX3 (0.50) P2RX3ALDH1A1NPSR1HTTMAPT
SCHEMBL10117084 0.85 TP53 (0.49) P2RX3ALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL10116828 0.85 P2RX3 (0.56) P2RX3ALDH1A1NPSR1SMN1; SMN2THRB
SCHEMBL10117078 0.83 P2RX3 (0.45) P2RX3ALDH1A1SMN1; SMN2THRBMAPT

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-8497263-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-07-30 US disclosed
US-8497263-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-07-30 US disclosed
US-8101644-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2012-01-24 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US 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 (2 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-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885RXFP1 31/4885L3MBTL1 4884/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885RXFP1 31/4885L3MBTL1 4884/4885

“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.