SCHEMBL6089695

SCHEMBL6089695

COc1ccc2cc([C@H]3NC(=O)c4cccc5c4N3CC[C@@H]5N)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
TNKS2 Q9H2K2 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DRD4 P21917 1/20 0.35
JAK2 O60674 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL6090178 1.00 MTNR1A (0.36) MTNR1ATNKS2KDM4EALDH1A1HPGD
SCHEMBL6091400 1.00 MTNR1A (0.36) MTNR1ATNKS2KDM4EALDH1A1HPGD
SCHEMBL6091466 1.00 MTNR1A (0.36) MTNR1ATNKS2KDM4EALDH1A1HPGD
SCHEMBL6091425 0.91 LMNA (0.39)
SCHEMBL6092426 0.91 LMNA (0.39)
SCHEMBL6092758 0.91 LMNA (0.39)
SCHEMBL6091047 0.91 LMNA (0.39)
SCHEMBL6091289 0.91 KDM4E (0.42) TNKS2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6089125 0.91 KDM4E (0.42) TNKS2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6092971 0.91 KDM4E (0.42) TNKS2KDM4EALDH1A1HPGDSMN1; SMN2

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 MTNR1A 4541/4885TNKS2 15/4885KDM4E 812/4885

“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.