SCHEMBL2961959

SCHEMBL2961959

COC(=O)c1cc(N)c(I)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.58
▸ GAA P10253 5/20 0.58
▸ LMNA P02545 4/20 0.58
▸ XDH P47989 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ FUT7 Q11130 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ HPGD P15428 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 4/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50

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
SCHEMBL6872746 0.87 LMNA (0.69) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL2663753 0.81 GAA (0.74) KDM4EGAALMNAXDHL3MBTL1
Hydrochloric Acid SCHEMBL642672 0.80 GAA (0.71) KDM4EGAALMNAXDHL3MBTL1
Hydrochloric Acid SCHEMBL31440687 0.80 GAA (0.71) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL12825049 0.79 KDM4E (0.69) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL5924237 0.79 KDM4E (0.63) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL28343949 0.79 LMNA (0.58) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL26091032 0.79 LMNA (0.58) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL18031415 0.79 KDM4E (0.58) KDM4EGAALMNAXDHL3MBTL1
SCHEMBL3356220 0.79 KDM4E (0.53) KDM4EGAALMNAXDHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772253-B2 Amide derivatives as somatostatin receptor 5 antagonists HOFFMAN-LA ROCHE INC. (US) 2010-08-10 — — US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
EP-1893603-B1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-10-14 — — EP disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 — — EP disclosed
EP-1893603-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2008-03-05 — — EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 — — EP disclosed
WO-2006128803-A1 PIPERIDIN-4-YL-AMIDE DERIVATIVES AND THEIR USE AS SST RECEPTOR SUBTYPE 5 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 — — WO disclosed
US-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-12-07 — — US disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 — — WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 — — 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 (2 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-20060276508-A1 Amide derivatives as somatostatin receptor 5 antagonists SSTR5, SSTR3, SSTR1 KDM4E 3383/4885GAA 1442/4885LMNA 3667/4885
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 KDM4E 3736/4885GAA 1283/4885LMNA 4234/4885

“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.

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