SCHEMBL8738407

SCHEMBL8738407

CCOC(=O)c1ccc(OCC)c(Nc2nc(-c3sc(C)nc3C)cs2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.69
MAPT P10636 7/20 0.67
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 2/20 0.67
TDP1 Q9NUW8 1/20 0.67
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CFTR P13569 1/20 0.55
OPRM1 P35372 6/20 0.54
LMNA P02545 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL8737955 0.92 TRPV4 (0.58) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL8738761 0.91 MAPT (0.68) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL8739106 0.91 MAPT (0.67) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL8737706 0.89 MEN1 (0.63) TRPV4MAPTALDH1A1KDM4EMEN1
SCHEMBL8738466 0.85 MAPT (0.54) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL6114428 0.83 MAPT (0.57) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL6114125 0.83 MEN1 (0.60) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8738756 0.83 TDP1 (0.62) MAPTALDH1A1KDM4ETDP1MEN1
SCHEMBL8738022 0.81 MAPT (0.67) TRPV4MAPTALDH1A1KDM4ETDP1
SCHEMBL6113808 0.81 MEN1 (0.54) TRPV4MAPTALDH1A1KDM4ETDP1

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 TRPV4 3344/4885MAPT 3531/4885ALDH1A1 648/4885

“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.