SCHEMBL443609

SCHEMBL443609

COC(=O)c1cc(O)c(N)c(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
HPGD P15428 4/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
XDH P47989 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
NFKB1 P19838 1/20 0.50
GFER P55789 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
FUT7 Q11130 1/20 0.50
PTGS2 P35354 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PRKCZ Q05513 1/20 0.48

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
SCHEMBL443610 0.86 EGFR (0.52) EGFRHPGDLMNAGAAKDM4E
SCHEMBL452184 0.85 PTGS1 (0.49) EGFRHPGDLMNAGAAKDM4E
SCHEMBL18582577 0.85 EGFR (0.51) EGFRHPGDLMNAGAAKDM4E
SCHEMBL4533112 0.85 MAPK14 (0.48) EGFRHPGDLMNAGAAKDM4E
SCHEMBL5988425 0.82 EGFR (0.62) EGFRHPGDLMNAGAAKDM4E
SCHEMBL443326 0.82 EGFR (0.55) EGFRHPGDLMNAGAAKDM4E
SCHEMBL14832783 0.81 EGFR (0.79) EGFRHPGDLMNAGAAKDM4E
SCHEMBL12825049 0.80 KDM4E (0.69) HPGDLMNAGAAKDM4EXDH
SCHEMBL14832104 0.80 EGFR (0.68) EGFRHPGDLMNAKDM4EXDH
SCHEMBL23628969 0.78 PTGS2 (0.58) EGFRHPGDLMNAGAAKDM4E

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-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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 (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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 EGFR 3390/4885HPGD 2178/4885LMNA 4068/4885

“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.