SCHEMBL205159

SCHEMBL205159

COC(=O)c1cccc2nc(-c3ccc(-c4ccncc4)cc3F)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.45
ESR2 Q92731 1/20 0.45
DHODH Q02127 4/20 0.45
HDAC6 Q9UBN7 3/20 0.44
CYP46A1 Q9Y6A2 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
NR4A2 P43354 1/20 0.40
ABCB1 P08183 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TOP2A P11388 1/20 0.39
NPC1 O15118 2/20 0.38

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
SCHEMBL206440 0.86 DHODH (0.47) ESR2DHODHHDAC6KDM4EALDH1A1
SCHEMBL204097 0.86 DHODH (0.60) CETPESR2DHODHHDAC6PKN1
SCHEMBL205228 0.85 CETP (0.47) CETPESR2DHODHHDAC6HDAC3
SCHEMBL205349 0.85 DHODH (0.53) CETPESR2DHODHCYP46A1PKN1
SCHEMBL204884 0.83 CETP (0.56) CETPESR2DHODHCYP46A1PKN1
SCHEMBL2957208 0.78 CETP (0.60) CETPESR2DHODHKDM4EALDH1A1
SCHEMBL205921 0.75 DHODH (0.58) CETPESR2DHODHHDAC6NR4A2
SCHEMBL3920472 0.75 CETP (0.55) CETPESR2DHODHHDAC6HDAC3
SCHEMBL203783 0.74 NR4A2 (0.51) CETPESR2DHODHHDAC6NR4A2
SCHEMBL206153 0.74 PARP1 (0.50) CETPESR2KDM4EALDH1A1HTR3A

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 CETP 2602/4885ESR2 1492/4885DHODH 2441/4885

“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.