SCHEMBL6532276

SCHEMBL6532276

O=C(OCc1nc2ccccc2[nH]1)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TPH1 P17752 8/20 0.42
TPH2 Q8IWU9 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MMP13 P45452 1/20 0.41
GRIN2B Q13224 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PIN1 Q13526 1/20 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
SCHEMBL6258767 0.93 GRIN2B (0.44) MAPTTPH1TPH2SMN1; SMN2KDM4E
SCHEMBL6729948 0.86 TPH1 (0.44) MAPTTPH1TPH2SMN1; SMN2KDM4E
SCHEMBL6258644 0.85 MMP13 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6728453 0.83 KDM4E (0.44) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6727465 0.83 MMP13 (0.42) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6259959 0.82 MMP13 (0.49) SMN1; SMN2KDM4EALDH1A1HPGDMMP13
SCHEMBL6907517 0.81 TPH2 (0.42) TPH1TPH2SMN1; SMN2KDM4EALDH1A1
SCHEMBL6736336 0.80 MMP13 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6513715 0.80 ALDH1A1 (0.50) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6252407 0.80 MMP13 (0.45) SMN1; SMN2KDM4EALDH1A1HPGDMMP13

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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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 MAPT 4800/4885TPH1 1125/4885TPH2 1366/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885TPH1 2292/4885TPH2 1105/4885
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 MAPT 1774/4885TPH1 1303/4885TPH2 624/4885

“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.