SCHEMBL6091087

SCHEMBL6091087

N[C@@H]1CCN2c3c(cccc31)C(=O)N[C@H]2c1ccsc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PARP1 P09874 1/20 0.32
CYP19A1 P11511 1/20 0.32
AKT1 P31749 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6091674 1.00 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMEN1MAPT
SCHEMBL6089450 1.00 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMEN1MAPT
SCHEMBL6090517 1.00 SMN1; SMN2 (0.33) SMN1; SMN2LMNAKDM4EMEN1MAPT
SCHEMBL6089791 0.85 TNKS2 (0.35) LMNAKDM4EHSD17B10HTR2CHTR2B
SCHEMBL6090730 0.85 TNKS2 (0.35) LMNAKDM4EHSD17B10HTR2CHTR2B
SCHEMBL6089696 0.83 TNKS2 (0.39) SMN1; SMN2KDM4EMEN1KMT2AHSD17B10
SCHEMBL6090392 0.83 TNKS2 (0.39) SMN1; SMN2KDM4EMEN1KMT2AHSD17B10
SCHEMBL6090413 0.83 PARP1 (0.35) KDM4EHSD17B10HTR2CHTR2BPARP1
SCHEMBL6091992 0.83 PARP1 (0.35) KDM4EHSD17B10HTR2CHTR2BPARP1
SCHEMBL6091026 0.82 PARP1 (0.45) SMN1; SMN2KDM4EKMT2AHSD17B10HTR2C

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 SMN1; SMN2 1321/4885LMNA 666/4885KDM4E 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.