SCHEMBL8737699

SCHEMBL8737699

COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2sc(N)nc2C)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.71
MEN1 O00255 11/20 0.71
KMT2A Q03164 11/20 0.71
GAA P10253 9/20 0.71
ALDH1A1 P00352 7/20 0.71
HSD17B10 Q99714 4/20 0.71
TDP1 Q9NUW8 4/20 0.71
PDE5A O76074 1/20 0.66
PDE1A P54750 1/20 0.66
PDE1B Q01064 1/20 0.66
PDE1C Q14123 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
MCL1 Q07820 1/20 0.59
MAPK1 P28482 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 2/20 0.55
RECQL P46063 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
SCHEMBL6114097 0.86 MMP9 (0.70) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8739499 0.84 MEN1 (0.82) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8737946 0.84 MEN1 (0.82) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8737789 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8738018 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14132705 0.83 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14132667 0.83 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14146498 0.83 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
Bromide SCHEMBL6114191 0.82 MEN1 (0.71) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8739321 0.82 MAPT (0.74) MAPTMEN1KMT2AGAAALDH1A1

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 MAPT 3531/4885MEN1 2298/4885KMT2A 2435/4885

“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.