SCHEMBL4947374

SCHEMBL4947374

CNS(=O)(=O)c1cccc(OCCCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 7/20 0.46
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 1/20 0.43
KAT6A Q92794 2/20 0.43
F2 P00734 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEP1B Q16820 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL4948322 0.87 TNNI3K (0.45) TNNI3KPOLBL3MBTL1TDP1EGFR
SCHEMBL14601549 0.83 KAT6A (0.52) TNNI3KPOLBL3MBTL1TDP1EGFR
SCHEMBL12561642 0.77 KEAP1 (0.62) TNNI3KL3MBTL1KAT6AALDH1A1LMNA
SCHEMBL29909928 0.77 KEAP1 (0.62) TNNI3KL3MBTL1KAT6AALDH1A1LMNA
SCHEMBL28468656 0.75 POLB (0.46) TNNI3KPOLBL3MBTL1TDP1EGFR
SCHEMBL28212268 0.75 FBP1 (0.50) TNNI3KPOLBL3MBTL1EGFRKAT6A
SCHEMBL13605417 0.75 SLC40A1 (0.54) TNNI3KL3MBTL1KAT6AFFAR4
SCHEMBL31310940 0.74 ALDH1A1 (0.60) TNNI3KPOLBL3MBTL1TDP1EGFR
SCHEMBL21054365 0.74 ALDH1A1 (0.60) TNNI3KPOLBL3MBTL1TDP1EGFR
SCHEMBL21054362 0.74 ALDH1A1 (0.60) TNNI3KPOLBL3MBTL1TDP1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA TNNI3K 4183/4885POLB 3890/4885L3MBTL1 4606/4885

“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.