SCHEMBL6005085

SCHEMBL6005085

O=C(c1ccccc1)c1ccc(-c2ncc[nH]2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 3/20 0.73
NISCH Q9Y2I1 2/20 0.65
MTOR P42345 1/20 0.65
ADK P55263 1/20 0.65
PDE4A P27815 2/20 0.58
PDE4B Q07343 2/20 0.58
PDE4C Q08493 2/20 0.58
PDE4D Q08499 2/20 0.58
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CHEK2 O96017 1/20 0.48
CSNK1A1 P48729 1/20 0.46
TYRO3 Q06418 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PARP1 P09874 1/20 0.46
SRD5A2 P31213 1/20 0.46

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
SCHEMBL17303458 0.93 KDM4E (0.77) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL1060312 0.84 KDM4E (1.00) ALDH1A1KDM4ENISCHMTORADK
Hydrochloric Acid SCHEMBL3895818 0.83 KDM4E (0.96) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL27972616 0.83 KDM4E (0.96) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL7728112 0.80 PTPN1 (0.61) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL5148367 0.80 NISCH (0.91) ALDH1A1KDM4ENISCHMTORADK
2-Phenylimidazole SCHEMBL9719773 0.80 NISCH (1.00) ALDH1A1KDM4ENISCHMTORADK
2-Phenylimidazole SCHEMBL8901 0.80 NISCH (1.00) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL7383120 0.79 KDM4E (0.72) ALDH1A1KDM4ENISCHMTORADK
SCHEMBL3634334 0.79 KDM4E (0.72) ALDH1A1KDM4ENISCHMTORADK

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 228/4885KDM4E 1370/4885NISCH 792/4885

“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.