SCHEMBL3032061

SCHEMBL3032061

COC(=O)c1cc(Br)cc2oc(-c3ccccc3)nc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.63
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 4/20 0.51
HSD17B10 Q99714 3/20 0.51
NPC1 O15118 3/20 0.51
HIF1A Q16665 1/20 0.47
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN5 P54829 1/20 0.44
RCE1 Q9Y256 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL2954868 0.86 RAB9A (0.54) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL20897620 0.84 TOP2A (0.56) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7434524 0.83 TOP2A (0.88) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2950895 0.80 ALDH1A1 (0.57) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL21839907 0.78 KDM4E (0.40) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL17929348 0.78 TOP2A (1.00) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2964683 0.77 MAPT (0.47) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL2590099 0.76 SMN1; SMN2 (0.55) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL2957123 0.76 TOP2A (0.53) TOP2AKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL31476977 0.76 RAB9A (0.61) KDM4EALDH1A1RAB9ASMN1; SMN2HPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 US disclosed
EP-1853597-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR Technology, Inc. (US) 2007-11-14 EP disclosed
WO-2006089100-A1 BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-24 WO disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885KDM4E 3917/4885ALDH1A1 3208/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885KDM4E 3917/4885ALDH1A1 3208/4885

“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.