SCHEMBL6089133

SCHEMBL6089133

N#Cc1ccc(C2NC(=O)c3cccc4c3N2CCC4=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.36
HTR2B P41595 2/20 0.36
ELANE P08246 13/20 0.35
PARP1 P09874 1/20 0.35
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2A P28223 2/20 0.33
CYP2C9 P11712 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL6089905 0.85 PARP1 (0.34) HTR2CHTR2BELANEPARP1KDM4E
SCHEMBL6089898 0.85 PARP1 (0.34) HTR2CHTR2BELANEPARP1KDM4E
SCHEMBL6090523 0.85 TNKS2 (0.39) HTR2CHTR2BPARP1CYP19A1KDM4E
SCHEMBL6089480 0.84 TNKS2 (0.42) HTR2CHTR2BKDM4EALDH1A1HTR2A
SCHEMBL6089877 0.84 PARP1 (0.39) HTR2CHTR2BPARP1KDM4EALDH1A1
SCHEMBL6091873 0.84 MEN1 (0.42) HTR2CHTR2BPARP1KDM4EALDH1A1
SCHEMBL6091636 0.81 PARP1 (0.40) HTR2CHTR2BPARP1KDM4EALDH1A1
SCHEMBL6090894 0.81 ATM (0.41) HTR2CHTR2BPARP1KDM4EALDH1A1
SCHEMBL6090229 0.81 ALDH1A1 (0.41) HTR2CHTR2BPARP1KDM4EALDH1A1
SCHEMBL6092226 0.81 TNKS2 (0.45) KDM4EALDH1A1

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 HTR2C 3206/4885HTR2B 2595/4885ELANE 2657/4885

“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.