SCHEMBL7036762

SCHEMBL7036762

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ncno3)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MMP13 P45452 1/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPA1 O75762 3/20 0.38
PDE1B Q01064 2/20 0.38

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
SCHEMBL6473227 0.86 TRPA1 (0.41) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6252686 0.86 MMP13 (0.53) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6736639 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL7035438 0.84 MMP13 (0.41) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6730266 0.83 MAPT (0.44) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6256050 0.83 TRPA1 (0.49) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6472710 0.83 TRPA1 (0.49) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6724916 0.82 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6471550 0.82 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL6916168 0.82 TRPA1 (0.42) KDM4EALDH1A1MAPTHPGDLMNA

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 KDM4E 1577/4885ALDH1A1 812/4885MAPT 4800/4885

“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.