SCHEMBL2962706

SCHEMBL2962706

CC(C)c1ccccc1-c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.55
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
IDO1 P14902 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
HTR3A P46098 3/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CMKLR1 Q99788 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL3401507 0.82 TOP2A (0.58) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL2959863 0.81 TOP2A (0.70) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL120317 0.80 TOP2A (0.55) TOP2AIDO1MAOAMAOBKMT2A
SCHEMBL2962341 0.80 TOP2A (0.55) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL121763 0.80 TOP2A (0.55) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL2954782 0.79 TOP2A (0.55) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL2959889 0.79 TOP2A (0.61) TOP2AHTR3AKCNH2CYP3A4ALDH1A1
SCHEMBL14367754 0.78 TOP2A (0.75) TOP2AIDO1MAOAMAOBHTR3A
SCHEMBL15808142 0.77 MAOB (0.46) TOP2AIKBKETBK1IDO1MAOA
SCHEMBL121325 0.77 TOP2A (0.65) TOP2AIDO1MAOAMAOBHTR3A

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 7 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
CN-101160307-A Benzoxazole carboxamides for the treatment of CINV and IBS-D AMR TECHNOLOGY INC (US) 2008-04-09 CN 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 1421/4885IKBKE 1232/4885TBK1 2718/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885IKBKE 1232/4885TBK1 2718/4885

“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.