SCHEMBL6008587

SCHEMBL6008587

O=COCNS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KEAP1 Q14145 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.47
GBA1 P04062 2/20 0.47
TSHR P16473 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6007599 0.82 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL574791 0.77 MAPK1 (0.64) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL19280574 0.77 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL2595618 0.76 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL6006902 0.75 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL3934921 0.75 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL6008583 0.74 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL8349568 0.73 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL2372216 0.73 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL12672473 0.72 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E

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 ALDH1A1 228/4885LMNA 4676/4885SMN1; SMN2 4010/4885

“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.