SCHEMBL5456095

SCHEMBL5456095

CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCOC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.77
▸ HPGD P15428 12/20 0.77
▸ KDM4E B2RXH2 10/20 0.77
▸ HSD17B10 Q99714 5/20 0.77
▸ NPSR1 Q6W5P4 5/20 0.77
▸ GAA P10253 2/20 0.77
▸ MAPT P10636 6/20 0.75
▸ MAPK1 P28482 4/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ USP2 O75604 2/20 0.75
▸ ALOX15 P16050 2/20 0.75
▸ PTGER2 P43116 1/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ ATM Q13315 1/20 0.57

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
SCHEMBL5449432 0.87 ALDH1A1 (1.00) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5460090 0.83 ALDH1A1 (0.74) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5460524 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10NPSR1GAA
SCHEMBL19475093 0.81 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5467525 0.80 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5451385 0.80 CNR2 (0.57) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5458226 0.79 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5450569 0.78 KMT2A (0.69) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL5458496 0.78 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL5453319 0.78 MAPT (0.53) ALDH1A1KDM4EHSD17B10NPSR1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 — — US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 — — EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 — — WO 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 ALDH1A1 1153/4885HPGD 2361/4885KDM4E 3417/4885

“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.

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