SCHEMBL3076938

SCHEMBL3076938

CCOC(CNCC(=O)OC)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 3/20 0.36
RECQL P46063 1/20 0.35
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BIRC2 Q13490 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
SCHEMBL6078959 0.86 GAA (0.46) EPHX1MGAMGAASIMGAM2
SCHEMBL7277502 0.82 PTPRC (0.33) EPHX1
SCHEMBL6896024 0.82 EGLN1 (0.38) EPHX1TSHRMGAMGAASI
SCHEMBL21946049 0.81 TSHR (0.40) TET2TSHRRECQLMGAMGAA
SCHEMBL2170756 0.81 TSHR (0.43) EPHX1TSHREPHX2
SCHEMBL8315999 0.75 THRB (0.42) EPHX1ATM
SCHEMBL7441120 0.74 GAA (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3604649 0.74 CA12 (0.44) TET2TSHRRECQLMGAMGAA
SCHEMBL1886560 0.74 TSHR (0.42) TET2EPHX1TSHRRECQLMGAM
SCHEMBL19781308 0.73 TSHR (0.39) TET2TSHRRECQLMGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
CN-101855221-B Pyridazinone derivatives as PARP inhibitors ANGELETTI P IST RICHERCHE BIO 2013-10-30 CN 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-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
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 WO 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 TET2 3879/4885EPHX1 3927/4885TSHR 3044/4885

“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.