SCHEMBL6138129

SCHEMBL6138129

NS(=O)(=O)c1cc(Nc2ccc(I)cc2)c(-c2conc2O)cc1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
LMNA P02545 2/20 0.32
F10 P00742 1/20 0.31

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
SCHEMBL6137936 0.86 SOS1 (0.37) CA1CA2CA12CA9LMNA
SCHEMBL6137882 0.77 LMNA (0.32) CA1CA2CA12CA9LMNA
SCHEMBL6138196 0.76 CA1 (0.40) CA1CA2CA12CA9LMNA
SCHEMBL6138121 0.74 SOS1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL6137733 0.73 IDO1 (0.38) CA2
SCHEMBL6137911 0.72 MAP2K1 (0.37) CA1CA2CA9
SCHEMBL6137955 0.69 SOS1 (0.37) CA1CA2CA12CA9LMNA
SCHEMBL6138161 0.68 MEN1 (0.38)
SCHEMBL6137918 0.68 MAP2K1 (0.41) CA1CA2CA9
SCHEMBL6138055 0.67 SOS1 (0.37) CA1CA2CA12CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS CA1 842/4885CA2 3273/4885CA12 2676/4885

“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.