SCHEMBL6727754

SCHEMBL6727754

CCN(CC)CCCOC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MITF O75030 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6258669 0.90 TSHR (0.49) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL6730250 0.89 TSHR (0.47) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL6732802 0.88 TSHR (0.46) KMT2AMEN1TP53MAPTALDH1A1
SCHEMBL6734162 0.88 TRPA1 (0.41) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6526000 0.88 TSHR (0.43) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6730103 0.86 TRPA1 (0.42) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL6529705 0.85 TSHR (0.53) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6254657 0.85 TSHR (0.44) KMT2AMEN1TP53ALDH1A1TSHR
SCHEMBL6735464 0.85 KDM4E (0.44) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL6532396 0.84 TSHR (0.43) KMT2AMEN1TP53ALDH1A1TSHR

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 6 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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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 SCN1A 584/4885SCN2A 575/4885SCN3A 210/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 SCN1A 1885/4885SCN2A 1391/4885SCN3A 1546/4885
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 SCN1A 1588/4885SCN2A 1319/4885SCN3A 1898/4885

“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.