SCHEMBL8737706

SCHEMBL8737706

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 6/20 0.63
ALDH1A1 P00352 5/20 0.63
CYP1A2 P05177 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP2D6 P10635 1/20 0.63
CFTR P13569 1/20 0.61
LMNA P02545 4/20 0.59
RECQL P46063 1/20 0.59
MMP9 P14780 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MCL1 Q07820 1/20 0.59
HTT P42858 2/20 0.57
PIK3CG P48736 1/20 0.56
POLB P06746 1/20 0.56
TRPV4 Q9HBA0 1/20 0.55

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
SCHEMBL8738397 0.92 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8738352 0.91 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8738407 0.89 TRPV4 (0.69) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8737955 0.88 TRPV4 (0.58) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL14053663 0.85 MAPT (0.81) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8738466 0.82 MAPT (0.54) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL6114320 0.82 MMP9 (0.74) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8737758 0.82 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL8738025 0.81 MMP9 (0.73) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8738761 0.81 MAPT (0.68) MEN1KMT2AMAPTALDH1A1CYP1A2

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
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 MEN1 2298/4885KMT2A 2435/4885MAPT 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.