SCHEMBL15733263

SCHEMBL15733263

C=CCC(CC(SCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)n1nnc2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MMP2 P08253 8/20 0.42
MMP3 P08254 8/20 0.42
MMP9 P14780 8/20 0.42
MMP13 P45452 8/20 0.42
GPR139 Q6DWJ6 5/20 0.41
MMP1 P03956 4/20 0.41
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MAOB P27338 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
SCHEMBL877725 0.78 MMP2 (0.57) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877541 0.75 MMP2 (0.53) NPSR1MMP2MMP3MMP9MMP13
SCHEMBL15733265 0.68 NPSR1 (0.48) NPSR1MMP2MMP3MMP9MMP13
SCHEMBL877350 0.68 MMP2 (0.43) MMP2MMP3MMP9MMP13GPR139
SCHEMBL7229433 0.67 MMP2 (0.62) MMP2MMP3MMP9MMP13GPR139
SCHEMBL874804 0.67 MMP2 (0.44) MMP2MMP3MMP9MMP13GPR139
SCHEMBL875125 0.67 MMP2 (0.44) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877491 0.67 MMP2 (0.46) NPSR1MMP2MMP3MMP9MMP13
SCHEMBL7229291 0.66 MMP2 (0.81) NPSR1MMP2MMP3MMP9MMP13
SCHEMBL15733014 0.65 MMP2 (0.42) MMP2MMP3MMP9MMP13GPR139

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 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 (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 NPSR1 903/4885MMP2 17/4885MMP3 4/4885

“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.