SCHEMBL2961898

SCHEMBL2961898

Cc1noc(C)c1-c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 6/20 0.46
TOP2A P11388 2/20 0.44
ALDH1A1 P00352 2/20 0.43
BRD4 O60885 3/20 0.42
BRD2 P25440 2/20 0.42
CREBBP Q92793 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR3A P46098 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2955256 0.82 MYC (0.49) TOP2AALDH1A1POLBIDO1MAOA
SCHEMBL440239 0.79 JAK2 (0.51) TOP2AALDH1A1IDO1MAOAMAOB
SCHEMBL2956579 0.77 HTR3A (0.66) HTR3A
SCHEMBL2956585 0.77 HTR3A (0.66) HTR3A
SCHEMBL7934473 0.77 HTR3A (0.66) HTR3A
SCHEMBL440072 0.76 DHODH (0.49) TOP2AALDH1A1NPC1RAB9AIDO1
SCHEMBL2960028 0.76 HTR3A (0.73) HTR3A
SCHEMBL28926584 0.75 TOP2A (0.59) TOP2AALDH1A1NPC1RAB9AIDO1
SCHEMBL496431 0.75 MAOB (0.49) TOP2AALDH1A1IDO1MAOAMAOB
SCHEMBL206232 0.75 TOP2A (0.56) TOP2AALDH1A1POLBNPC1CASP3

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 FTO 4871/4885TOP2A 1421/4885ALDH1A1 3208/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A FTO 4871/4885TOP2A 1421/4885ALDH1A1 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.