SCHEMBL2960023

SCHEMBL2960023

O=C(O)c1cc(Cl)cc2oc(-c3ccsc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.44
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
MAOA P21397 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42
OPRD1 P41143 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3A Q14432 1/20 0.42
DHODH Q02127 3/20 0.42
ACMSD Q8TDX5 1/20 0.42
KDR P35968 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL2959750 0.82 DHODH (0.51) TTRALBMAOACNR1DRD1
SCHEMBL2965597 0.80 DHODH (0.49) IKBKBMAOADHODHACMSDKDR
SCHEMBL2961683 0.79 ALDH1A1 (0.51) IKBKBTTRALBMAOACNR1
SCHEMBL2963270 0.77 EIF4E (0.42) TTRALBMAOACNR1DRD1
SCHEMBL2965645 0.77 KDM4E (0.49) DHODHKDM4EMAPTGPR35ALDH1A1
SCHEMBL2957218 0.76 HTR3A (0.67) PDE4DALDH1A1CYP1A2CYP2C9KCNH2
SCHEMBL2957215 0.76 HTR3A (0.67) PDE4DALDH1A1CYP1A2CYP2C9KCNH2
SCHEMBL2953614 0.76 MAPT (0.50) IKBKBKDRKDM4EPOLBMAPT
SCHEMBL2961277 0.76 HTR3A (0.53) KCNH2
SCHEMBL2963283 0.75 KMT2A (0.40) TTRALBMAOACNR1DRD1

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 IKBKB 983/4885TTR 4860/4885ALB 4154/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A IKBKB 983/4885TTR 4860/4885ALB 4154/4885

“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.