SCHEMBL6130737

SCHEMBL6130737

NS(=O)(=O)c1ccc(NN=Cc2cccs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.69
CA2 P00918 9/20 0.69
CA9 Q16790 8/20 0.69
CA12 O43570 6/20 0.69
MAPT P10636 7/20 0.61
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RCE1 Q9Y256 1/20 0.56
CA7 P43166 2/20 0.52
CA4 P22748 1/20 0.51
PTGS1 P23219 1/20 0.51
LOX P28300 1/20 0.51
PTGS2 P35354 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
SCHEMBL6130732 1.00 CA1 (0.69) CA1CA2CA9CA12MAPT
SCHEMBL3067386 0.78 MAPT (0.64) CA1CA2CA9CA12MAPT
SCHEMBL3067385 0.78 MAPT (0.64) CA1CA2CA9CA12MAPT
SCHEMBL11545508 0.77 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11544435 0.77 GAA (0.56) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11545504 0.77 MAPT (0.59) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL11544430 0.77 GAA (0.56) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL4639339 0.71 KMT2A (0.61) CA1CA2CA9CA12MAPT
SCHEMBL4639340 0.71 KMT2A (0.61) CA1CA2CA9CA12MAPT
SCHEMBL4638913 0.71 CA2 (0.79) CA1CA2CA9CA12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476149-A4 SUBSTITUTED HYDRAZONES AS INHIBITORS OF CYCLOOXYGENASE-2 UNIV TEMPLE (US) 2005-09-14 EP disclosed
EP-1476149-A2 SUBSTITUTED HYDRAZONES AS INHIBITORS OF CYCLOOXYGENASE-2 Temple University of the Commonwealth System of Higher Education (US) 2004-11-17 EP disclosed
US-20030187035-A1 Substituted hydrazones as inhibitors of cyclooxygenase-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-10-02 US disclosed
WO-2003049698-A2 SUBSTITUTED HYDRAZONES AS INHIBITORS OF CYCLOOXYGENASE-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-06-19 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-20030187035-A1 Substituted hydrazones as inhibitors of cyclooxygenase-2 PTGS1, PTGS2, PTGES2 CA1 211/4885CA2 136/4885CA9 523/4885

“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.