SCHEMBL6724877

SCHEMBL6724877

CCC(CN(C)C)OC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
TRPA1 O75762 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.36
MMP13 P45452 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6730309 0.93 KMT2A (0.42) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6724911 0.89 KMT2A (0.42) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6730154 0.86 TRPA1 (0.43) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6446136 0.84 KMT2A (0.42) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6727645 0.83 TRPA1 (0.40) KMT2ATRPA1SMN1; SMN2PKMRAB9A
SCHEMBL7100560 0.83 TRPA1 (0.41) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6736766 0.82 TRPA1 (0.41) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6529705 0.81 TSHR (0.53) KMT2AMEN1TRPA1SMN1; SMN2PKM
SCHEMBL6235401 0.81 KDM4E (0.54) KMT2ATRPA1SMN1; SMN2KDM4ETSHR
SCHEMBL6724731 0.81 TRPA1 (0.41) KMT2AMEN1TRPA1SMN1; SMN2PKM

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 KMT2A 1976/4885MEN1 3056/4885TRPA1 3888/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 KMT2A 1264/4885MEN1 4353/4885TRPA1 982/4885
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 KMT2A 1331/4885MEN1 4110/4885TRPA1 671/4885

“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.