SCHEMBL6090465

SCHEMBL6090465

CC(O)Oc1ccc([C@@H]2NC(=O)c3cccc4c3N2CC[C@H]4N)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

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
SCHEMBL6093007 1.00 PARP1 (0.33) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6090997 0.92 BRD4 (0.37) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6089785 0.92 BRD4 (0.37) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6089125 0.87 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2
SCHEMBL6089444 0.87 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2
SCHEMBL6091289 0.87 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2
SCHEMBL6092971 0.87 KDM4E (0.42) KDM4EALDH1A1NPSR1TNKS2
Hydrochloric Acid SCHEMBL6091722 0.86 KDM4E (0.41) HTR2CHTR2BKDM4EALDH1A1NPSR1
SCHEMBL6090392 0.84 TNKS2 (0.39) PARP1HTR2CHTR2BKDM4EALDH1A1
SCHEMBL6089696 0.84 TNKS2 (0.39) PARP1HTR2CHTR2BKDM4EALDH1A1

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 PARP1 1/4885HTR2C 3206/4885HTR2B 2595/4885

“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.