SCHEMBL6089551

SCHEMBL6089551

COc1ccc(C2NC(=O)c3cccc4c3N2CCC4N(C)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ABCB1 P08183 4/20 0.36
TNKS2 Q9H2K2 2/20 0.36
DRD4 P21917 1/20 0.35
JAK2 O60674 1/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
RAD51 Q06609 1/20 0.34
ATM Q13315 1/20 0.34
RPS6KA2 Q15349 1/20 0.34

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
SCHEMBL6091122 0.88 KDM4E (0.41) ALDH1A1KDM4ENPSR1ABCB1TNKS2
SCHEMBL6092909 0.82 ALDH1A1 (0.42) ALDH1A1USP2KDM4EMAPTMEN1
SCHEMBL6092971 0.80 KDM4E (0.42) ALDH1A1KDM4ENPSR1ABCB1TNKS2
SCHEMBL6090419 0.80 ALDH1A1 (0.38) ALDH1A1USP2KDM4EABCB1MAPT
SCHEMBL6091289 0.80 KDM4E (0.42) ALDH1A1KDM4ENPSR1ABCB1TNKS2
SCHEMBL6091583 0.80 KDM4E (0.42) ALDH1A1KDM4ENPSR1ABCB1TNKS2
SCHEMBL6091635 0.80 ALDH1A1 (0.38) ALDH1A1USP2KDM4EABCB1MAPT
SCHEMBL6090388 0.80 ALDH1A1 (0.38) ALDH1A1USP2KDM4EABCB1MAPT
SCHEMBL6091407 0.80 ALDH1A1 (0.38) ALDH1A1USP2KDM4EABCB1MAPT
SCHEMBL6089125 0.80 KDM4E (0.42) ALDH1A1KDM4ENPSR1ABCB1TNKS2

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 4 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 claimed
EP-1582520-A1 NOVEL PARP INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-10-05 EP claimed
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 ALDH1A1 1890/4885USP2 2736/4885KDM4E 812/4885

“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.