SCHEMBL8740217

SCHEMBL8740217

[C-]#[N+]c1ccc(OC)c(Nc2nc(-c3cccnc3)cs2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
POLB P06746 2/20 0.73
NPC1 O15118 9/20 0.70
RAB9A P51151 9/20 0.70
GAA P10253 2/20 0.70
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.52
CASP3 P42574 1/20 0.51

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
SCHEMBL8740214 0.89 MEN1 (0.58) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8740257 0.85 MEN1 (0.78) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14054287 0.85 RAB9A (0.84) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14059092 0.84 RAB9A (0.78) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL206089 0.84 MEN1 (1.00) MEN1KMT2APOLBNPC1RAB9A
Bromide SCHEMBL14054264 0.83 RAB9A (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8741770 0.83 MEN1 (0.76) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL14053326 0.82 RAB9A (1.00) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL8521727 0.82 MEN1 (0.73) MEN1KMT2APOLBNPC1RAB9A
Bromide SCHEMBL6118015 0.81 MEN1 (0.71) MEN1KMT2APOLBNPC1RAB9A

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-20120129843-A1 PYRIDYL-THIAZOLYL 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-20120129843-A1 PYRIDYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, TIMP3 MEN1 2671/4885KMT2A 3083/4885POLB 2324/4885

“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.