SCHEMBL6089431

SCHEMBL6089431

COc1ccc([C@H]2NC(=O)c3cccc4c3N2CC[C@H]4N)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
POLB P06746 1/20 0.36
DRD4 P21917 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 1/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KMT2A Q03164 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
SCHEMBL6091168 1.00 HTR2C (0.36) HTR2CHTR2BPOLBDRD4MAPT
SCHEMBL6092839 1.00 HTR2C (0.36) HTR2CHTR2BPOLBDRD4MAPT
SCHEMBL6089120 1.00 HTR2C (0.36) HTR2CHTR2BPOLBDRD4MAPT
SCHEMBL6092758 0.87 LMNA (0.39) HTR2C
SCHEMBL6091425 0.87 LMNA (0.39) HTR2C
SCHEMBL6092426 0.87 LMNA (0.39) HTR2C
SCHEMBL6091047 0.87 LMNA (0.39) HTR2C
SCHEMBL6091289 0.86 KDM4E (0.42) DRD4MAPTKDM4EALDH1A1HPGD
SCHEMBL6089125 0.86 KDM4E (0.42) DRD4MAPTKDM4EALDH1A1HPGD
SCHEMBL6092971 0.86 KDM4E (0.42) DRD4MAPTKDM4EALDH1A1HPGD

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 2595/4885POLB 36/4885

“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.