SCHEMBL6090419

SCHEMBL6090419

CN(C)c1ccc([C@@H]2NC(=O)c3cccc4c3N2CC[C@H]4N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
RECQL P46063 1/20 0.36
PARP1 P09874 2/20 0.36
ABCB1 P08183 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
RUNX1 Q01196 1/20 0.34
KMT2A Q03164 1/20 0.34
CBFB Q13951 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
SCHEMBL6091635 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL6090388 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL6091407 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL6090392 0.89 TNKS2 (0.39) ALDH1A1KDM4EGAAPARP1MEN1
SCHEMBL6089696 0.89 TNKS2 (0.39) ALDH1A1KDM4EGAAPARP1MEN1
SCHEMBL6091992 0.86 PARP1 (0.35) ALDH1A1KDM4EPARP1HSD17B10HTR2C
SCHEMBL6090413 0.86 PARP1 (0.35) ALDH1A1KDM4EPARP1HSD17B10HTR2C
SCHEMBL6089791 0.86 TNKS2 (0.35) ALDH1A1KDM4EPARP1TP53HSD17B10
SCHEMBL6090730 0.86 TNKS2 (0.35) ALDH1A1KDM4EPARP1TP53HSD17B10
SCHEMBL6092437 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EGAAPARP1MEN1

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 ALDH1A1 1890/4885KDM4E 812/4885MAPT 497/4885

“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.