SCHEMBL6730221

SCHEMBL6730221

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OC3CCC4CCCC4C3)sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TRPA1 O75762 6/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARG Q86W56 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL6732873 0.89 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6727783 0.85 SCN1A (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6531562 0.84 TRPA1 (0.44) TRPA1ALDH1A1LMNAKMT2AMEN1
SCHEMBL6734171 0.84 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7035677 0.82 TRPA1 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6729978 0.82 HTR3E (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6727925 0.81 BCHE (0.46) TRPA1ALDH1A1KDM4ECYP3A4
SCHEMBL6730039 0.81 MEN1 (0.40) TRPA1ALDH1A1LMNAKMT2AMEN1
SCHEMBL7101979 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6529705 0.79 TSHR (0.53) TRPA1ALDH1A1LMNAKMT2AMEN1

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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
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 (3 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 HTR3E 854/4885HTR3B 1072/4885HTR3A 823/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 HTR3E 575/4885HTR3B 1035/4885HTR3A 1450/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 HTR3E 544/4885HTR3B 956/4885HTR3A 1413/4885

“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.