SCHEMBL6137930

SCHEMBL6137930

Nc1nnc(-c2cc(S)c(S(N)(=O)=O)cc2Nc2ccc(I)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.34
GAA P10253 3/20 0.34
SI P14410 3/20 0.34
MGAM2 Q2M2H8 3/20 0.34
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
RAB9A P51151 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL6137926 0.85 KDM4E (0.39) MGAMGAASIMGAM2ALOX5AP
SCHEMBL7073564 0.75 SOS1 (0.37) CA1CA2LMNACA12CA9
SCHEMBL6138172 0.73 SOS1 (0.37) CA1CA2LMNACA12CA9
SCHEMBL6138054 0.71 ALOX5AP (0.39) MGAMGAASIMGAM2ALOX5AP
SCHEMBL6137773 0.71 CA2 (0.38) MGAMGAASIMGAM2ALOX5AP
SCHEMBL6138146 0.67 CA1 (0.39) CA1CA2LMNACA12CA9
SCHEMBL6137866 0.66 ALOX5AP (0.36) MGAMGAASIMGAM2ALOX5AP
SCHEMBL6138150 0.66 MAP2K1 (0.39) MGAMGAASIMGAM2ALOX5AP
SCHEMBL6137882 0.66 LMNA (0.32) CA1CA2LMNACA12CA9
SCHEMBL6138001 0.65 CA1 (0.40) CA1CA2LMNACA12CA9

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 MGAM 4854/4885GAA 4414/4885SI 4815/4885

“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.