SCHEMBL6092508

SCHEMBL6092508

COc1ccc(C2NC(=O)c3cccc4c3N2CCC4=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
FKBP1A P62942 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
LRRK2 Q5S007 1/20 0.36
POLB P06746 1/20 0.36
TUBB4A P04350 1/20 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
SCHEMBL6089858 0.85 LMNA (0.42) HTR2C
SCHEMBL6092226 0.85 TNKS2 (0.45) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6091107 0.85 TNKS2 (0.39) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL6089431 0.83 HTR2C (0.36) HTR2CHTR2BKDM4EALDH1A1HPGD
SCHEMBL6091168 0.83 HTR2C (0.36) HTR2CHTR2BKDM4EALDH1A1HPGD
SCHEMBL6092839 0.83 HTR2C (0.36) HTR2CHTR2BKDM4EALDH1A1HPGD
SCHEMBL6089120 0.83 HTR2C (0.36) HTR2CHTR2BKDM4EALDH1A1HPGD
SCHEMBL6093170 0.82 KDM4E (0.44) HTR2CHTR2BKDM4EALDH1A1HSD17B10
SCHEMBL6091130 0.81 KDM4E (0.39) HTR2CHTR2BKDM4EALDH1A1HPGD
SCHEMBL6088925 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAGFER

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 2595/4885FKBP1A 2345/4885

“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.