SCHEMBL206374

SCHEMBL206374

CCN1C[C@H]2CC[C@]1(c1nc3cccc(C(N)=O)c3o1)C2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR3A P46098 3/20 0.33
PARP1 P09874 11/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CD38 P28907 1/20 0.31
SLC6A9 P48067 1/20 0.31

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
SCHEMBL206375 1.00 PARP2 (0.34) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL205148 0.87 HTR3A (0.36) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL205149 0.87 HTR3A (0.36) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL204310 0.85 PARP1 (0.39) PARP2HTR3APARP1
SCHEMBL204309 0.85 PARP1 (0.39) PARP2HTR3APARP1
SCHEMBL204980 0.85 PARP1 (0.35) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL3425455 0.85 PARP1 (0.35) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL204981 0.85 PARP1 (0.35) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL204307 0.82 KDM4E (0.38) PARP2KDM4EALDH1A1HTR3APARP1
SCHEMBL204306 0.82 KDM4E (0.38) PARP2KDM4EALDH1A1HTR3APARP1

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PARP2 2/4885KDM4E 1650/4885ALDH1A1 398/4885

“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.