SCHEMBL877761

SCHEMBL877761

COc1ccc(OC)c(CC(=O)Nc2ccc(S(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
NPSR1 Q6W5P4 1/20 0.47
GPR139 Q6DWJ6 6/20 0.47
ALDH1A1 P00352 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL877315 0.88 LMNA (0.47) KMT2AMEN1GPR139HTTCA2
SCHEMBL877579 0.84 KMT2A (0.50) KMT2AMEN1GPR139ALDH1A1MMP2
SCHEMBL875118 0.84 TSHR (0.52) KMT2AMEN1GPR139MMP2KDM4E
SCHEMBL874772 0.83 KMT2A (0.47) KMT2AMEN1GPR139ALDH1A1RXFP1
SCHEMBL877932 0.83 KMT2A (0.47) KMT2AMEN1NPSR1ALDH1A1RXFP1
SCHEMBL875478 0.80 MMP2 (0.52) KMT2ANPSR1GPR139MMP2MMP9
SCHEMBL874492 0.79 KMT2A (0.49) KMT2AMEN1NPSR1ALDH1A1HTT
SCHEMBL876989 0.78 MMP2 (0.49) KMT2AMEN1NPSR1GPR139ALDH1A1
SCHEMBL875435 0.78 GPR139 (0.49) GPR139ALDH1A1HTTMMP2MMP9
SCHEMBL874274 0.77 MMP2 (0.48) KMT2AMEN1NPSR1GPR139ALDH1A1

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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 KMT2A 3501/4885MEN1 1755/4885NPSR1 903/4885

“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.