SCHEMBL6091386

SCHEMBL6091386

O=C1CCN2c3c1cccc3C(=O)NC2c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 8/20 0.40
GAA P10253 3/20 0.40
GLA P06280 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
THPO P40225 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
CHRNA7 P36544 3/20 0.36

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
SCHEMBL6090523 0.85 TNKS2 (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL6090899 0.83 KDM4E (0.40) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6090904 0.83 KDM4E (0.40) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6091944 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6092751 0.80 ALDH1A1 (0.38) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL6089877 0.79 PARP1 (0.39) KDM4EALDH1A1HPGDTSHRCYP3A4
SCHEMBL6091873 0.79 MEN1 (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL6089480 0.79 TNKS2 (0.42) KDM4EALDH1A1GAAHPGDMAPK1
SCHEMBL6090378 0.78 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6089161 0.78 PDE3B (0.40) MAPK1TSHRCYP3A4MEN1KMT2A

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 KDM4E 812/4885ALDH1A1 1890/4885GAA 2522/4885

“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.