SCHEMBL204307

SCHEMBL204307

NC(=O)c1cccc2nc([C@@]34CC[C@H](CN3C3CCCCC3)C4)oc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PARP1 P09874 13/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
ESR2 Q92731 1/20 0.38
PARP2 Q9UGN5 1/20 0.34
HTR3A P46098 3/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2B6 P20813 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CD38 P28907 1/20 0.33

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
SCHEMBL204306 1.00 KDM4E (0.38) KDM4EALDH1A1PARP1POLBHTT
SCHEMBL3425455 0.95 PARP1 (0.35) KDM4EALDH1A1PARP1POLBHTT
SCHEMBL204981 0.95 PARP1 (0.35) KDM4EALDH1A1PARP1POLBHTT
SCHEMBL204980 0.95 PARP1 (0.35) KDM4EALDH1A1PARP1POLBHTT
SCHEMBL203963 0.86 PARP1 (0.42) PARP1POLBHTTESR2PARP2
SCHEMBL203962 0.86 PARP1 (0.42) PARP1POLBHTTESR2PARP2
SCHEMBL205148 0.85 HTR3A (0.36) KDM4EALDH1A1PARP1PARP2HTR3A
SCHEMBL205149 0.85 HTR3A (0.36) KDM4EALDH1A1PARP1PARP2HTR3A
SCHEMBL206375 0.82 PARP2 (0.34) KDM4EALDH1A1PARP1PARP2HTR3A
SCHEMBL206374 0.82 PARP2 (0.34) KDM4EALDH1A1PARP1PARP2HTR3A

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 2 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 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 KDM4E 1650/4885ALDH1A1 398/4885PARP1 1/4885

“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.