SCHEMBL3075863

SCHEMBL3075863

O=C(NCC1COCCN1C(=O)O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PREP P48147 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
HTT P42858 1/20 0.42
LIPE Q05469 1/20 0.42
PRKDC P78527 1/20 0.42
CAPN1 P07384 1/20 0.42

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
SCHEMBL19056526 0.86 ABCB1 (0.49) MEN1KMT2ANPSR1PREPCTSL
SCHEMBL25186706 0.82 PREP (0.57) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL3342656 0.82 PREP (0.57) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL3336958 0.82 PREP (0.57) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL30452743 0.82 MEN1 (0.46) MEN1KMT2ANPSR1CTSLHTT
SCHEMBL20522842 0.81 FKBP1A (0.54) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL25174182 0.81 FKBP1A (0.54) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL28978206 0.81 FKBP1A (0.54) MEN1KMT2APREPLMNASMN1; SMN2
SCHEMBL3942123 0.80 PDK1 (0.39) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL28492934 0.79 LMNA (0.51) MEN1KMT2ANPSR1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468975-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2019-04-17 EP disclosed
EP-3468970-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2019-04-17 EP disclosed
WO-2017211759-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
WO-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 WO disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MEN1 3563/4885KMT2A 3180/4885NPSR1 4377/4885

“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.