SCHEMBL6006642

SCHEMBL6006642

S=Cc1cccc2oc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAOA P21397 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
PGAM1 P18669 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CDC14B O60729 1/20 0.40
CDC14A Q9UNH5 1/20 0.40
AHR P35869 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL25165121 0.81 ESR1 (0.43) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL4126701 0.80 MAOA (0.48) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL2158474 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL3959503 0.76 MAOA (0.42) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL2195718 0.73 MAOA (0.54) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL1635475 0.73 MAOA (0.59) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL329524 0.72 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL10550909 0.72 CA1 (0.50) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL3081231 0.72 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAOASMN1; SMN2
SCHEMBL30550556 0.72 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EMAOASMN1; SMN2

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 228/4885HPGD 739/4885KDM4E 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.