SCHEMBL6834353

SCHEMBL6834353

O=C(/C=C(/c1ccccc1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.63
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
P4HB P07237 2/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NOS2 P35228 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CA1 P00915 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
SCHEMBL6834354 1.00 HDAC1 (0.63) HDAC1CA2CA12CA9P4HB
SCHEMBL7066283 0.82 CASP3 (0.58) HDAC1CA2KMT2AMAPTKDM4E
SCHEMBL6834397 0.82 CASP3 (0.58) HDAC1CA2KMT2AMAPTKDM4E
SCHEMBL6834395 0.82 CASP3 (0.58) HDAC1CA2KMT2AMAPTKDM4E
SCHEMBL6830979 0.82 HDAC1 (0.63) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL6830982 0.82 HDAC1 (0.63) HDAC1MEN1KMT2ALMNAMAPT
SCHEMBL14288331 0.79 HDAC1 (0.64) HDAC1CA2CA12CA9MEN1
SCHEMBL5330654 0.79 CA2 (0.69) HDAC1CA2CA12CA9P4HB
SCHEMBL4823249 0.78 CA2 (0.90) CA2CA12CA9MEN1KMT2A
SCHEMBL6831091 0.78 CASP3 (0.59) HDAC1CA2CA12CA9KMT2A

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 HDAC1 920/4885CA2 362/4885CA12 154/4885

“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.