SCHEMBL6093054

SCHEMBL6093054

O=C1CCN2c3c1cccc3C(=O)NC2c1ccc(OCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.41
ESR1 P03372 6/20 0.36
ESR2 Q92731 3/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TNKS2 Q9H2K2 1/20 0.33
PARP1 P09874 1/20 0.33
HRH3 Q9Y5N1 4/20 0.33
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
KEAP1 Q14145 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6090265 0.88 GPR174 (0.36) GPR174ESR1ESR2GAAALDH1A1
SCHEMBL6090430 0.86 PARP1 (0.42) ESR1GAAALDH1A1KDM4EUSP2
SCHEMBL6092226 0.83 TNKS2 (0.45) GAAALDH1A1KDM4EHSD17B10TNKS2
SCHEMBL6091124 0.82 ALDH1A1 (0.44) GAAALDH1A1KDM4EUSP2HSD17B10
SCHEMBL6090472 0.82 GPR174 (0.36) GPR174ESR1ESR2GAAALDH1A1
SCHEMBL6093009 0.82 GPR174 (0.36) GPR174ESR1ESR2GAAALDH1A1
SCHEMBL6093050 0.81 TNKS2 (0.34) GPR174GAAALDH1A1KDM4EUSP2
SCHEMBL6090852 0.81 TSHR (0.40) GPR174GAAALDH1A1KDM4ETNKS2
SCHEMBL6090523 0.80 TNKS2 (0.39) ALDH1A1KDM4EUSP2HSD17B10TNKS2
SCHEMBL6089480 0.79 TNKS2 (0.42) GAAALDH1A1KDM4EUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004028-A1 Novel PARP inhibitor MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 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-20060004028-A1 Novel PARP inhibitor PARP1, PARP2, PARP11 GPR174 3747/4885ESR1 2745/4885ESR2 4246/4885

“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.