SCHEMBL3069766

SCHEMBL3069766

O=C(OCc1ccccc1)N1CCCN(C2CC2)C(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
TMEM97 Q5BJF2 8/20 0.49
SIGMAR1 Q99720 8/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR1A P08908 2/20 0.48
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 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
SCHEMBL31461542 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL28435744 0.90 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL14334288 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL21041191 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL25336065 0.84 MEN1 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL14334656 0.83 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL6969799 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL3069899 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL30283170 0.82 HTR2C (0.52) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL4872217 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 5 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
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 SMN1; SMN2 1589/4885NPC1 4687/4885RAB9A 3774/4885

“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.