SCHEMBL8737965

SCHEMBL8737965

COc1ccc(C(=O)NCc2ccccc2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.69
MEN1 O00255 11/20 0.66
MAPT P10636 11/20 0.66
KMT2A Q03164 11/20 0.66
GAA P10253 4/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 3/20 0.66
ALDH1A1 P00352 9/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
HPGD P15428 5/20 0.65
KDM4E B2RXH2 5/20 0.65
LMNA P02545 5/20 0.65
CFTR P13569 4/20 0.65
ALB P02768 1/20 0.65
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.57
MCL1 Q07820 1/20 0.57

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
SCHEMBL8738033 0.89 MEN1 (0.63) MMP9MEN1MAPTKMT2AGAA
SCHEMBL8737940 0.87 MMP9 (0.72) MMP9MEN1MAPTKMT2AGAA
SCHEMBL6114320 0.87 MMP9 (0.74) MMP9MEN1MAPTKMT2AGAA
SCHEMBL8738025 0.85 MMP9 (0.73) MMP9MEN1MAPTKMT2AGAA
Bromide SCHEMBL6114358 0.84 MMP9 (0.72) MMP9MEN1MAPTKMT2AGAA
SCHEMBL8737707 0.83 MMP9 (0.59) MMP9MEN1MAPTKMT2AGAA
SCHEMBL6114069 0.83 MMP9 (0.78) MMP9MEN1MAPTKMT2AGAA
SCHEMBL29394354 0.82 MMP9 (1.00) MMP9MEN1MAPTKMT2AGAA
SCHEMBL4514794 0.82 MMP9 (1.00) MMP9MEN1MAPTKMT2AGAA
SCHEMBL4518476 0.82 MAPT (0.82) MMP9MEN1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 MMP9 2/4885MEN1 2298/4885MAPT 3531/4885

“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.