SCHEMBL10116758

SCHEMBL10116758

CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(N(C)C)cc3)C2c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
CDC25B P30305 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL10116812 0.92 P2RX3 (0.58) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL15139582 0.90 P2RX3 (0.55) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10116778 0.88 P2RX3 (0.55) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10117140 0.88 P2RX3 (0.53) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10116698 0.87 P2RX3 (0.62) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL15139586 0.87 P2RX3 (0.54) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL13521325 0.86 P2RX3 (0.53) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10116885 0.85 P2RX3 (0.53) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10116797 0.85 P2RX3 (0.52) P2RX3MEN1KMT2AKDM4ELMNA
SCHEMBL10116729 0.85 P2RX3 (0.55) P2RX3MEN1KMT2AKDM4ELMNA

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 7 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
EP-2143713-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Shionogi&Co., Ltd. (JP) 2010-01-13 EP 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 1/4885MEN1 3731/4885KMT2A 3720/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 P2RX3 1/4885MEN1 3731/4885KMT2A 3720/4885

“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.