SCHEMBL6831091

SCHEMBL6831091

O=C(C=C(c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)NO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
KMT2A Q03164 3/20 0.58
PKM P14618 1/20 0.58
CA2 P00918 2/20 0.53
MMP2 P08253 2/20 0.53
CA1 P00915 1/20 0.53
MMP1 P03956 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
PGR P06401 1/20 0.49
DDX3X O00571 1/20 0.49
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL6834397 0.97 CASP3 (0.58) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6834395 0.97 CASP3 (0.58) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL7066283 0.97 CASP3 (0.58) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL8366106 0.83 CASP3 (0.81) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6834286 0.82 ITGA1 (0.65) KMT2AALDH1A1HSD17B1HSD17B2POLB
SCHEMBL6834188 0.81 HDAC1 (0.60) KMT2APKMALDH1A1POLBGAA
SCHEMBL6833577 0.80 L3MBTL1 (0.59) PKMCA2MMP2CA1MMP1
SCHEMBL6205956 0.80 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205953 0.80 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL6205955 0.80 CASP3 (0.61) CASP3SENP8SENP7SENP6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029928-A1 Novel propenohydroxamic acid derivatives WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1314721-A1 NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP 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-20040029928-A1 Novel propenohydroxamic acid derivatives TNF, SI, HDGF CASP3 386/4885SENP8 3015/4885SENP7 2046/4885

“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.