SCHEMBL533096

SCHEMBL533096

O=C(Nc1ccc(N2CCNCC2)cc1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
ABL1 P00519 1/20 0.58
ME3 Q16798 1/20 0.58
NAMPT P43490 2/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
AURKA O14965 1/20 0.48
RIPK1 Q13546 1/20 0.48
MCHR1 Q99705 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
USP2 O75604 1/20 0.48

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
Acetic Acid SCHEMBL7374818 0.90 ALDH1A1 (0.55) ALDH1A1ABL1ME3NAMPTMEN1
Acetic Acid SCHEMBL8143556 0.87 ME3 (0.55) ALDH1A1ABL1ME3NAMPTMEN1
SCHEMBL7371765 0.86 ME3 (0.54) ALDH1A1ABL1ME3MEN1KMT2A
SCHEMBL7374819 0.85 ALDH1A1 (0.50) ALDH1A1ABL1ME3NAMPTMEN1
SCHEMBL8134089 0.85 ALDH1A1 (0.47) ALDH1A1ABL1ME3NAMPTMEN1
Acetic Acid SCHEMBL8135057 0.84 ME3 (0.52) ALDH1A1ABL1ME3MEN1KMT2A
SCHEMBL8134086 0.84 ME3 (0.52) ALDH1A1ABL1ME3MEN1KMT2A
Acetic Acid SCHEMBL7375335 0.84 ME3 (0.52) ALDH1A1ABL1ME3NAMPTMAPT
SCHEMBL8141352 0.84 ME3 (0.52) ALDH1A1ABL1ME3LMNAMAPT
SCHEMBL7374698 0.83 ME3 (0.51) ALDH1A1ABL1ME3MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 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-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 445/4885ABL1 2060/4885ME3 557/4885

“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.