SCHEMBL6005000

SCHEMBL6005000

O=[C]NCCC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 3/20 0.54
MAPK1 P28482 3/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 4/20 0.50
TRPA1 O75762 1/20 0.50
GSK3B P49841 1/20 0.50
HIF1A Q16665 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
HDAC1 Q13547 5/20 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
SCHEMBL350085 0.80 HPGD (0.58) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL6006547 0.80 SMN1; SMN2 (0.58) KDM4EHPGDCES1SMN1; SMN2ALDH1A1
SCHEMBL9744775 0.79 TDP1 (0.62) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL8609050 0.76 MAPT (0.52) MAPTKMT2AKDM4EMEN1HPGD
SCHEMBL719034 0.76 NR4A2 (0.85) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL30121738 0.76 NR4A2 (0.85) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL22982704 0.76 MAPT (0.58) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL993752 0.76 MAPT (0.58) TDP1MAPTMAPK1KMT2AKDM4E
SCHEMBL3075535 0.76 LMNA (0.61) KMT2AHPGDSMN1; SMN2LMNAHDAC1
SCHEMBL5592824 0.74 PRSS1 (0.68) TDP1MAPTMAPK1KMT2AKDM4E

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 TDP1 4718/4885MAPT 4279/4885MAPK1 481/4885

“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.