SCHEMBL17168147

SCHEMBL17168147

CN1CC2=C(C1)C(=O)N(C)C2=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.31
CRBN Q96SW2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
MGLL Q99685 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
SCHEMBL12406684 0.71 BRD4 (0.36) CASP3CRBNKDM4EGSK3AGSK3B
SCHEMBL46223 0.71 ALDH1A1 (0.38) CASP3KDM4EGSK3AGSK3BMGLL
SCHEMBL6850987 0.69 GSK3A (0.44) CASP3KDM4EGSK3AGSK3BMGLL
SCHEMBL84388 0.69 GSK3A (0.35) CRBNKDM4EHTTGSK3AGSK3B
SCHEMBL18058915 0.69 CASP3 (0.34) CASP3
SCHEMBL10401009 0.69 GSK3A (0.35) CASP3GSK3AGSK3BMGLL
SCHEMBL8271652 0.67
SCHEMBL12895935 0.65 ALDH1A1 (0.34) CASP3GSK3AGSK3BMGLL
Hydrochloric Acid SCHEMBL22443373 0.65
SCHEMBL24668614 0.64 CRBN (0.32) CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598418-B2 Substituted phthalazin-1 (2H)-one derivatives as selective inhibitors of poly (ADP-ribose) polymerase-1 CADILA HEALTHCARE LIMITED (IN) 2017-03-21 US disclosed
US-9598418-B2 Substituted phthalazin-1 (2H)-one derivatives as selective inhibitors of poly (ADP-ribose) polymerase-1 CADILA HEALTHCARE LIMITED (IN) 2017-03-21 US disclosed
US-20150291603-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 CADILA HEALTHCARE LIMITED (IN) 2015-10-15 US disclosed
US-20150291603-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 CADILA HEALTHCARE LIMITED (IN) 2015-10-15 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-20150291603-A1 SUBSTITUTED PHTHALAZIN-1 (2H)-ONE DERIVATIVES AS SELECTIVE INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE-1 PARP1, PARP11, PARP2 CASP3 1718/4885CRBN 3612/4885KDM4E 3427/4885

“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.