SCHEMBL205351

SCHEMBL205351

O=C(O)c1cccc2oc(-c3ccc(Br)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.53
DHODH Q02127 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
IDO1 P14902 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR3A P46098 4/20 0.44
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 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
SCHEMBL28926584 0.92 TOP2A (0.59) TOP2ADHODHNPC1RAB9AIDO1
SCHEMBL205454 0.89 TOP2A (0.48) TOP2AHDAC6RXFP1NPC1RAB9A
SCHEMBL121325 0.88 TOP2A (0.65) TOP2ADHODHHDAC6NPC1RAB9A
SCHEMBL16383496 0.87 TOP2A (0.54) TOP2ADHODHNPC1RAB9AIDO1
SCHEMBL121392 0.85 HTR3A (0.54) TOP2ADHODHHDAC6NPC1RAB9A
SCHEMBL120321 0.85 HTR3A (0.54) TOP2ADHODHIDO1MAOAMAOB
SCHEMBL206232 0.85 TOP2A (0.56) TOP2ADHODHNPC1RAB9AIDO1
SCHEMBL2961027 0.84 TOP2A (0.54) TOP2ADHODHHDAC6RXFP1NPC1
SCHEMBL2963234 0.82 TOP2A (0.50) TOP2ADHODHHDAC6IDO1MAOA
SCHEMBL2957072 0.82 TOP2A (0.59) TOP2AHDAC6RXFP1NPC1RAB9A

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 disclosed
US-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
WO-2010083220-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2010-07-22 WO 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 (2 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-20110293744-A1 BENZOXAZOLE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 TOP2A 20/4885DHODH 734/4885HDAC6 300/4885
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TOP2A 70/4885DHODH 2441/4885HDAC6 76/4885

“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.