SCHEMBL6008182

SCHEMBL6008182

CC([NH])C(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 1/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
JAK1 P23458 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL9117029 1.00 CES2 (0.57) CES2CES1KDM4EALDH1A1GAA
SCHEMBL759389 0.85 CES2 (0.61) CES2CES1KDM4EALDH1A1GAA
SCHEMBL7208589 0.84 KDM4E (0.55) CES2CES1KDM4EALDH1A1GAA
SCHEMBL2599186 0.83 CES2 (0.59) CES2CES1KDM4EALDH1A1GAA
SCHEMBL15007511 0.83 CES2 (0.59) CES2CES1KDM4EALDH1A1GAA
SCHEMBL5130655 0.81 CES2 (0.57) CES2CES1KDM4EALDH1A1GAA
SCHEMBL9843421 0.81 CES2 (0.57) CES2CES1KDM4EALDH1A1GAA
SCHEMBL28310164 0.81 CES2 (0.57) CES2CES1KDM4EALDH1A1GAA
SCHEMBL2951738 0.81 ALDH1A1 (0.62) CES2CES1KDM4EALDH1A1GAA
SCHEMBL9439669 0.81 CES2 (0.57) CES2CES1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 CES2 1817/4885CES1 1235/4885KDM4E 1370/4885

“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.