SCHEMBL206232

SCHEMBL206232

Cc1ccc(-c2nc3c(C(=O)O)cccc3o2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.56
DHODH Q02127 1/20 0.47
HTR3A P46098 3/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
IKBKB O14920 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
KDM4E B2RXH2 4/20 0.45
TP53 P04637 2/20 0.45
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTPN5 P54829 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
SCHEMBL28926584 0.92 TOP2A (0.59) TOP2ADHODHHTR3ANPC1RAB9A
SCHEMBL204524 0.89 PARP1 (0.53) TOP2AHTR3ANPC1RAB9AGAA
SCHEMBL121325 0.88 TOP2A (0.65) TOP2ADHODHHTR3ANPC1RAB9A
SCHEMBL16383496 0.87 TOP2A (0.54) TOP2ADHODHHTR3ANPC1RAB9A
SCHEMBL206174 0.86 TOP2A (0.72) TOP2AHTR3ANPC1RAB9AGAA
SCHEMBL121392 0.85 HTR3A (0.54) TOP2ADHODHHTR3ANPC1RAB9A
SCHEMBL205351 0.85 TOP2A (0.53) TOP2ADHODHHTR3ANPC1RAB9A
SCHEMBL120321 0.85 HTR3A (0.54) TOP2ADHODHHTR3AIKBKBSMN1; SMN2
SCHEMBL2957072 0.85 TOP2A (0.59) TOP2AHTR3ANPC1RAB9AKMT2A
SCHEMBL2954629 0.85 TOP2A (0.53) TOP2ADHODHHTR3ANPC1RAB9A

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 11 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
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (3 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 TOP2A 70/4885DHODH 2441/4885HTR3A 2187/4885
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885DHODH 2821/4885HTR3A 3/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885DHODH 2821/4885HTR3A 3/4885

“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.