SCHEMBL6091022

SCHEMBL6091022

CN(C)CCCOc1ccc([C@H]2NC(=O)c3cccc4c3N2CC[C@@H]4N)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
ESR1 P03372 3/20 0.40
HRH3 Q9Y5N1 1/20 0.35
MAOB P27338 1/20 0.35
LSS P48449 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CACNA1B Q00975 2/20 0.33
MAPK14 Q16539 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 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
SCHEMBL6091436 1.00 PARP1 (0.40) PARP1ESR1HRH3MAOBLSS
SCHEMBL6093009 0.87 GPR174 (0.36) PARP1ESR1HRH3ALDH1A1KDM4E
SCHEMBL6090472 0.87 GPR174 (0.36) PARP1ESR1HRH3ALDH1A1KDM4E
SCHEMBL6091289 0.83 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2GAAMEN1
SCHEMBL6092971 0.83 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2GAAMEN1
SCHEMBL6089125 0.83 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2GAAMEN1
SCHEMBL6089444 0.83 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2GAAMEN1
SCHEMBL6090430 0.83 PARP1 (0.42) PARP1ESR1HRH3MAOBLSS
Hydrochloric Acid SCHEMBL6091722 0.83 KDM4E (0.41) ALDH1A1KDM4ESMN1; SMN2GAAMEN1
SCHEMBL6091635 0.81 ALDH1A1 (0.38) PARP1ALDH1A1KDM4EUSP2GAA

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 1 patent. 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

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 PARP1 1/4885ESR1 2745/4885HRH3 2623/4885

“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.