SCHEMBL2957253

SCHEMBL2957253

COc1cc(Cl)ccc1-c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.50
HTR3A P46098 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP3A4 P08684 2/20 0.45
AGPAT2 O15120 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
ELANE P08246 1/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPSE Q9Y251 2/20 0.41

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
SCHEMBL2964184 0.87 KDM4E (0.52) TOP2AHTR3AKCNH2CYP3A4MAPT
SCHEMBL2957102 0.84 AGPAT2 (0.48) TOP2AAGPAT2MAPTTP53ALDH1A1
SCHEMBL2964565 0.84 TOP2A (0.46) TOP2AAGPAT2MAPTTP53HPGD
SCHEMBL2959889 0.84 TOP2A (0.61) TOP2AHTR3AKCNH2CYP3A4MAPT
SCHEMBL15515790 0.79 TOP2A (0.61) TOP2AHTR3AAGPAT2MAPTHPGD
SCHEMBL27718872 0.79 TOP2A (0.42) TOP2AHTR3AKCNH2AGPAT2MAPT
SCHEMBL2959328 0.78 HTR3A (0.80) HTR3AKCNH2CYP3A4
SCHEMBL2959326 0.78 HTR3A (0.80) HTR3AKCNH2CYP3A4
SCHEMBL2954863 0.78 TOP2A (0.51) TOP2AHTR3AAGPAT2MAPTHPGD
SCHEMBL2956552 0.78 HTR3A (0.80) HTR3AKCNH2CYP3A4CYP2C19

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 1421/4885HTR3A 3/4885KCNH2 1078/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885HTR3A 3/4885KCNH2 1078/4885

“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.