SCHEMBL3078591

SCHEMBL3078591

O=C(OCc1ccccc1)N1CC(=O)N2CCOCC2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
HTR1A P08908 2/20 0.40
ADRA2C P18825 2/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPT P10636 1/20 0.40
F10 P00742 3/20 0.40
GRIN2B Q13224 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL27242728 0.86 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23187454 0.84 MEN1 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL10054113 0.83 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5118615 0.83 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21041191 0.82 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1666825 0.82 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26090713 0.80 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31156308 0.80 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31461542 0.79 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1972508 0.79 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-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.