SCHEMBL4246547

SCHEMBL4246547

NC1(C(=O)N2CC[N]CC2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.34
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RORC P51449 1/20 0.30
HSD11B1 P28845 3/20 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
SCHEMBL10129621 0.81 MEN1 (0.46) MEN1KMT2AHSD11B1
Hydrochloric Acid SCHEMBL496002 0.79 MEN1 (0.44) MEN1KMT2AHSD11B1
SCHEMBL5031120 0.76 HSD11B1 (0.43) DPP9DPP7MEN1KMT2AHSD11B1
SCHEMBL5027628 0.76 HSD11B1 (0.39) DPP9DPP7MEN1KMT2AHSD11B1
SCHEMBL15742291 0.76 HSD11B1 (0.46) DPP9DPP7KMT2AHSD11B1
Hydrochloric Acid SCHEMBL6432974 0.74 HSD11B1 (0.44) DPP9DPP7KMT2AHSD11B1
SCHEMBL5031162 0.74 HSD11B1 (0.45) MEN1KMT2AHSD11B1
SCHEMBL8050734 0.73 MEN1 (0.41) DPP9DPP7MEN1KMT2AHSD11B1
SCHEMBL3317554 0.72 FASN (0.41)
SCHEMBL16207693 0.72 HSD11B1 (0.50) DPP9DPP7HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029551-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) MSD ITALIA SRL (IT) 2018-10-31 EP disclosed
US-8188084-B2 Pyridinone and pyridazinone derivatives as inhibitors of poly (ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-05-29 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 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-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 PTPN11 4290/4885DPP9 1117/4885DPP7 1107/4885

“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.