SCHEMBL10116853

SCHEMBL10116853

CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccccc3)C2c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
P2RX3 P56373 6/20 0.49
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
CACNA1D Q01668 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 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
SCHEMBL10116787 0.97 MEN1 (0.57) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL13521410 0.93 P2RX3 (0.51) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL10116852 0.91 MEN1 (0.57) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL10116861 0.90 MAPT (0.53) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL10116812 0.89 P2RX3 (0.58) MEN1KMT2ALMNAMAPTP2RX3
SCHEMBL15139586 0.88 P2RX3 (0.54) MEN1KMT2ALMNAMAPTP2RX3
SCHEMBL13521325 0.88 P2RX3 (0.53) MEN1KMT2ALMNAMAPTP2RX3
SCHEMBL10116797 0.87 P2RX3 (0.52) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL10116729 0.87 P2RX3 (0.55) MEN1KMT2ALMNAMAPTP2RX3
SCHEMBL10116818 0.87 MAPT (0.55) MEN1KMT2ALMNAMAPTP2RX3

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-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-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 MEN1 3731/4885KMT2A 3720/4885LMNA 2875/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 MEN1 3731/4885KMT2A 3720/4885LMNA 2875/4885

“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.