SCHEMBL6006537

SCHEMBL6006537

S=[C]NCN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37
USP2 O75604 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
GLA P06280 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32

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
SCHEMBL6008499 0.78
SCHEMBL3721903 0.77 KDM4E (0.40) KDM4EALDH1A1HPGDDUSP3USP2
SCHEMBL6005137 0.76 LMNA (0.36) ALDH1A1CA12CA1CA2CA9
SCHEMBL3157423 0.75 HPGD (0.58) KDM4EALDH1A1HPGDDUSP3CA12
SCHEMBL4392228 0.72 USP2 (0.44) KDM4EALDH1A1HPGDDUSP3USP2
SCHEMBL8658072 0.69
SCHEMBL10508086 0.69
SCHEMBL22251461 0.69
SCHEMBL11856358 0.68 KDM4E (0.70) KDM4EALDH1A1HPGDDUSP3USP2
SCHEMBL6006541 0.68 HPGD (0.37) KDM4EALDH1A1HPGDDUSP3USP2

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 KDM4E 1370/4885ALDH1A1 228/4885HPGD 739/4885

“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.