SCHEMBL3576792

SCHEMBL3576792

CCOc1cc(C=O)cc(O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TOP2A P11388 1/20 0.46
HPGD P15428 2/20 0.44
AOX1 Q06278 1/20 0.44
TRIM24 O15164 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 1/20 0.43

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
SCHEMBL1004449 0.92 KDM4E (0.69) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1515768 0.89 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL15553080 0.86 KDM4E (0.75) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8585914 0.86 KDM4E (0.66) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL1527149 0.86 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL403220 0.86 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL398669 0.84 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL9790016 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL14034625 0.84 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL14178534 0.84 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 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-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
US-4435601-A OXIDATION WITH HYDROGEN PEROXIDE IN ALKALI OR ALKALINE METAL BASE RHONE-POULENC INDUSTRIES (FR) 1984-03-06 US disclosed
US-3993761-A 2,4-DIAMINO-5-(3-ALKOXY-4,5-METHYLENEDIOXYBENZYL)-PYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 1976-11-23 US disclosed
US-3962435-A ANTIBACTERIAL HOFFMANN-LA ROCHE INC. (US) 1976-06-08 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 ALDH1A1 934/4885KDM4E 3736/4885L3MBTL1 4667/4885

“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.