SCHEMBL2957072

SCHEMBL2957072

COc1ccc(-c2nc3c(C(=O)O)cccc3o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.59
HTR3A P46098 1/20 0.58
MAPT P10636 7/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
IKBKB O14920 1/20 0.48
TP53 P04637 2/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1387272 0.90 PARP1 (0.58) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL2954779 0.90 TOP2A (0.70) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL28926584 0.89 TOP2A (0.59) TOP2AHTR3AMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL28769336 0.88 PARP1 (0.57) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL206232 0.85 TOP2A (0.56) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL8664917 0.84 TOP2A (0.64) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL17929353 0.84 TOP2A (0.81) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL121325 0.84 TOP2A (0.65) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL16383496 0.83 TOP2A (0.54) TOP2AHTR3AMAPTNPC1RAB9A
SCHEMBL120321 0.82 HTR3A (0.54) TOP2AHTR3AMAPTKDM4EALDH1A1

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 1421/4885HTR3A 3/4885MAPT 4376/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885HTR3A 3/4885MAPT 4376/4885

“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.