SCHEMBL6289015

SCHEMBL6289015

COc1cc(CNC(=O)c2nc3cc(Cc4ccc(C(=O)O)cc4)cnc3s2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.50
MAOB P27338 5/20 0.43
GRM2 Q14416 1/20 0.42
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
RAB9A P51151 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
EPHX2 P34913 1/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 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
SCHEMBL6289373 0.84 L3MBTL1 (0.55) MMP13MAOBHDAC1NR1H4EPHX2
SCHEMBL6292169 0.81 MMP13 (0.50) MMP13GRM2CDK2GSK3BKLKB1
SCHEMBL6194250 0.78 NR1H4 (0.52) MMP13CDK2GSK3BKLKB1KLK1
SCHEMBL6196444 0.73 MMP13 (0.54) MMP13KLKB1KLK1HDAC1MAPT
SCHEMBL6704900 0.72 MMP13 (0.49) MMP13CDK2GSK3BEPHX2TRPA1
SCHEMBL6843459 0.72 MMP13 (0.52) MMP13KLKB1KLK1HDAC1NR1H4
SCHEMBL6194845 0.72 MMP13 (0.48) MMP13KLKB1KLK1HDAC1NR1H4
SCHEMBL6289345 0.71 MAOB (0.55) MAOBROCK2
SCHEMBL6842615 0.71 MMP13 (0.51) MMP13CDK2GSK3BKLKB1KLK1
SCHEMBL6191969 0.70 MMP13 (0.48) MMP13HDAC1KDM4EMAPTNR1H4

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-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US claimed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US claimed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014375-A2 FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 9/4885MAOB 382/4885GRM2 2536/4885

“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.