SCHEMBL3577759

SCHEMBL3577759

O=C(O)c1cccc2nc(NC3CCNCC3)oc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
DHODH Q02127 1/20 0.46
RPS6KB1 P23443 2/20 0.43
AURKA O14965 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 7/20 0.41
CLK4 Q9HAZ1 5/20 0.41
USP2 O75604 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR3A P46098 1/20 0.39
RPS6KA2 Q15349 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
CHEK2 O96017 1/20 0.39
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PARP1 P09874 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL13543060 0.87 RPS6KA2 (0.44) ELANERPS6KB1AURKAALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL3570071 0.83 RPS6KA2 (0.41) ELANERPS6KB1AURKAALDH1A1KDM4E
SCHEMBL4593453 0.82 ELANE (0.50) ELANEALDH1A1CYP1A2CLK4CYP2D6
Bromide SCHEMBL1121690 0.81 ELANE (0.49) ELANEALDH1A1CYP1A2CLK4CYP2D6
SCHEMBL4155160 0.81 RPS6KB1 (0.43) ELANERPS6KB1AURKAHTR3APIM1
SCHEMBL1121299 0.80 ELANE (0.47) ELANEALDH1A1KDM4ECYP1A2CLK4
SCHEMBL1121774 0.79 CYP1A2 (0.50) ELANEALDH1A1KDM4ECYP1A2CLK4
SCHEMBL3453495 0.78 ELANE (0.78) ELANEALDH1A1KDM4ECYP1A2CLK4
SCHEMBL1121470 0.77 ELANE (0.45) ELANEALDH1A1CYP1A2CLK4CYP2D6
SCHEMBL1121543 0.77 ELANE (0.45) ELANEALDH1A1CYP1A2CLK4CYP2C9

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
CN-101137660-B Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE 2011-06-15 CN 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
CN-101137660-A Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE (CH) 2008-03-05 CN 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

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 ELANE 3398/4885DHODH 2452/4885RPS6KB1 1545/4885

“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.