SCHEMBL4639340

SCHEMBL4639340

NS(=O)(=O)c1ccc(NN=Cc2ccco2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 6/20 0.61
GAA P10253 5/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 4/20 0.55
POLB P06746 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
CA1 P00915 9/20 0.53
CA2 P00918 9/20 0.53
CA9 Q16790 9/20 0.53
CA7 P43166 2/20 0.53
CA12 O43570 5/20 0.52
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL4639339 1.00 KMT2A (0.61) KMT2AMEN1MAPTGAARAB9A
SCHEMBL3066581 0.78 NPC1 (0.62) KMT2AMEN1MAPTGAARAB9A
SCHEMBL3066579 0.78 NPC1 (0.62) KMT2AMEN1MAPTGAARAB9A
SCHEMBL28624061 0.77 GAA (0.56) KMT2AMEN1MAPTGAARAB9A
SCHEMBL6130737 0.71 CA1 (0.69) KMT2AMEN1MAPTGAARAB9A
SCHEMBL6130732 0.71 CA1 (0.69) KMT2AMEN1MAPTGAARAB9A
SCHEMBL4638911 0.71 CA2 (0.79) KMT2AMEN1MAPTGAARAB9A
SCHEMBL4638913 0.71 CA2 (0.79) KMT2AMEN1MAPTGAARAB9A
SCHEMBL4640000 0.71 KMT2A (0.73) KMT2AMEN1MAPTGAARAB9A
SCHEMBL4638918 0.71 KMT2A (0.73) KMT2AMEN1MAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476149-B1 SUBSTITUTED HYDRAZONES AS INHIBITORS OF CYCLOOXYGENASE-2 UNIV TEMPLE (US) 2008-08-06 EP disclosed
US-7122571-B2 Substituted hydrazones as inhibitors of cyclooxygenase-2 TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-10-17 US disclosed
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 KMT2A 1730/4885MEN1 3642/4885MAPT 4832/4885

“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.