SCHEMBL205253

SCHEMBL205253

COC(=O)c1cccc2nc(-c3cccc(CBr)c3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
CETP P11597 2/20 0.51
ESR2 Q92731 1/20 0.49
DHODH Q02127 1/20 0.49
VDR P11473 1/20 0.42
VSIR Q9H7M9 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
P2RY14 Q15391 3/20 0.42
TOP2A P11388 1/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
ESR1 P03372 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL206425 0.89 CETP (0.49) CYP4F2CYP4A11CETPESR2DHODH
SCHEMBL205917 0.88 CETP (0.57) CETPESR2DHODHTOP2AKMT2A
SCHEMBL205361 0.88 CETP (0.50) CETPESR2DHODHVDRVSIR
SCHEMBL205254 0.83 CETP (0.54) CETPESR2DHODHVDRP2RY14
SCHEMBL206621 0.83 MEN1 (0.48) CETPESR2DHODHHDAC6KMT2A
SCHEMBL9126988 0.83 DHODH (0.70) CETPESR2DHODHTOP2AKMT2A
SCHEMBL205664 0.81 VSIR (0.62) CETPESR2DHODHVSIRHDAC6
SCHEMBL205823 0.81 CHRM3 (0.55) KMT2AMEN1
SCHEMBL205349 0.81 DHODH (0.53) CETPESR2DHODHVDRTOP2A
SCHEMBL24871288 0.80 CETP (0.58) CETPESR2DHODHTOP2AKMT2A

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 CYP4F2 2753/4885CYP4A11 2124/4885CETP 2602/4885

“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.