SCHEMBL20435637

SCHEMBL20435637

O=c1oc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.68
CA9 Q16790 2/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
RXFP1 Q9HBX9 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
F12 P00748 1/20 0.53
PKM P14618 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 2/20 0.52
POLB P06746 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
SCHEMBL831487 0.89 CA12 (0.79) CA12CA9CA1CA2RXFP1
SCHEMBL21032933 0.89 PKM (0.67) CA12CA9CA1CA2RXFP1
SCHEMBL20435617 0.89 LMNA (0.67) CA12CA9CA1CA2RXFP1
SCHEMBL831190 0.81 CA12 (0.64) CA12CA9CA1CA2MAOA
SCHEMBL8809101 0.81 CA12 (0.75) CA12CA9CA1CA2KDM4E
SCHEMBL8810276 0.81 CA12 (1.00) CA12CA9CA1CA2KDM4E
Bromobenzene SCHEMBL28023124 0.81 CA12 (0.62) CA12CA9CA1CA2NPSR1
Chlorobenzene SCHEMBL28022503 0.81 CA12 (0.62) CA12CA9CA1CA2ALDH1A1
SCHEMBL20435590 0.79 KDM4E (0.78) CA12CA9CA1CA2RXFP1
Anisole SCHEMBL28022513 0.79 XDH (0.60) CA12CA9CA1CA2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans KCL THERAPEUTICS, INC 2018-08-02 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-20180214413-A1 Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans NR4A2, NR2C2, NR0B2 CA12 4294/4885CA9 4839/4885CA1 4707/4885

“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.