SCHEMBL10116852

SCHEMBL10116852

CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc([N+](=O)[O-])cc3)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
P2RX3 P56373 12/20 0.49
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
CRHBP P24387 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL10116828 0.92 P2RX3 (0.56) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116853 0.91 MEN1 (0.58) MEN1KMT2AP2RX3USP2TSHR
SCHEMBL10116787 0.90 MEN1 (0.57) MEN1KMT2AP2RX3USP2TSHR
SCHEMBL15139594 0.89 SMN1; SMN2 (0.55) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116876 0.88 P2RX3 (0.59) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116756 0.87 P2RX3 (0.61) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10117117 0.87 P2RX3 (0.61) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116821 0.87 MAPT (0.55) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116699 0.87 P2RX3 (0.61) MEN1KMT2AP2RX3USP2ALOX15
SCHEMBL10116698 0.87 P2RX3 (0.62) MEN1KMT2AP2RX3LMNAALDH1A1

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 3720/4885P2RX3 1/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 MEN1 3731/4885KMT2A 3720/4885P2RX3 1/4885

“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.