SCHEMBL12733336

SCHEMBL12733336

Cc1cc(N)c([N+](=O)[O-])c(C)c1S(=O)(=O)Nc1nccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
NPY1R P25929 9/20 0.41
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL12733333 0.85 CNR2 (0.40) KDM4ECNR2MEN1KMT2ATDP1
SCHEMBL12733324 0.80 CYP2A6 (0.43) CRHBPCRHR2TSHRKDM4ECNR2
SCHEMBL12733334 0.75 PKM (0.37) TSHRKDM4ECNR2MEN1KMT2A
SCHEMBL12733337 0.73 CYP2A6 (0.39) CNR2MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL11860620 0.72 LMNA (0.55) TSHRKDM4EMEN1KMT2ATDP1
SCHEMBL4547696 0.68 TDP1 (0.44) TRPM8TSHRMEN1KMT2ATDP1
SCHEMBL29199898 0.63 ABCG2 (0.56) KDM4EMEN1KMT2ATDP1MAPT
SCHEMBL7125170 0.63 ABCG2 (0.65) KDM4EMEN1KMT2ATDP1MAPT
SCHEMBL416349 0.62 TSHR (0.54) NPY1RTSHRKDM4ETDP1CYP3A4
SCHEMBL6580997 0.61 ALDH1A1 (0.47) TSHRMEN1KMT2ATDP1TP53

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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 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-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 TRPM8 2627/4885NPY1R 4839/4885HSP90AA1 1304/4885

“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.