SCHEMBL6137948

SCHEMBL6137948

Cc1cc(I)ccc1Nc1cc(F)c(S(N)(=O)=O)cc1-c1nnc(S)o1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
CA1 P00915 7/20 0.35
CA2 P00918 7/20 0.35
CA12 O43570 6/20 0.35
CA9 Q16790 6/20 0.35
MAOB P27338 1/20 0.32
MAP2K1 Q02750 7/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ENPP3 O14638 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MAP2K2 P36507 1/20 0.30

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
SCHEMBL6137993 0.89 IDO1 (0.38) IDO1CA1CA2CA12CA9
SCHEMBL6137915 0.88 IDO1 (0.39) IDO1CA1CA2CA12CA9
SCHEMBL6137604 0.88 CA2 (0.39) CA1CA2CA12CA9MAOB
SCHEMBL6137897 0.86 CA1 (0.41) CA1CA2CA12CA9MAOB
SCHEMBL6137942 0.85 IDO1 (0.36) IDO1CA1CA2CA12CA9
SCHEMBL6138146 0.82 CA1 (0.39) CA1CA2CA12CA9MAOB
SCHEMBL6137923 0.81 IDO1 (0.35) IDO1MAP2K1MEN1KMT2ATDP1
SCHEMBL6137837 0.80 IDO1 (0.39) IDO1MAP2K1MEN1KMT2ATDP1
SCHEMBL6137951 0.79 IDO1 (0.42) IDO1MAP2K1
SCHEMBL6137963 0.78 IDO1 (0.36) IDO1MAP2K1MEN1KMT2ATDP1

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 3 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

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 IDO1 244/4885CA1 842/4885CA2 3273/4885

“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.