SCHEMBL205664

SCHEMBL205664

COC(=O)c1cccc2nc(-c3cccc(CNCCN(C)C)c3)oc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 14/20 0.62
CETP P11597 1/20 0.45
ESR2 Q92731 1/20 0.43
MAP4K4 O95819 1/20 0.43
DHODH Q02127 1/20 0.42
PDCD1 Q15116 4/20 0.42
CD274 Q9NZQ7 4/20 0.42
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL206075 0.89 VSIR (0.63) VSIRESR2MAP4K4DHODHPDCD1
SCHEMBL206425 0.86 CETP (0.49) VSIRCETPESR2DHODHHDAC6
SCHEMBL205361 0.85 CETP (0.50) VSIRCETPESR2DHODH
SCHEMBL205253 0.81 CYP4F2 (0.51) VSIRCETPESR2DHODHHDAC6
SCHEMBL205133 0.77 CETP (0.56) CETPESR2DHODH
SCHEMBL205254 0.77 CETP (0.54) CETPESR2DHODH
SCHEMBL206621 0.77 MEN1 (0.48) CETPESR2DHODHHDAC6
SCHEMBL9126988 0.76 DHODH (0.70) CETPESR2DHODH
SCHEMBL206340 0.75 CETP (0.56) CETPESR2DHODH
SCHEMBL205823 0.74 CHRM3 (0.55)

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 VSIR 4163/4885CETP 2602/4885ESR2 1492/4885

“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.