SCHEMBL2963283

SCHEMBL2963283

Cc1ccsc1-c1nc2c(C(=O)O)cc(Cl)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PGR P06401 1/20 0.36
CASP3 P42574 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD1 P21728 1/20 0.36
OPRD1 P41143 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL2963270 0.88 EIF4E (0.42) PGRCASP3TTRALBMAOA
SCHEMBL2955048 0.81 TOP2A (0.44) KMT2AMEN1PGRMAOAALDH1A1
SCHEMBL2965645 0.78 KDM4E (0.49) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2963895 0.78 NPC1 (0.41) KMT2AMEN1PGRTTRALB
SCHEMBL2961683 0.77 ALDH1A1 (0.51) TTRALBMAOACNR1DRD1
SCHEMBL2963834 0.77 HTR3A (0.58) KCNH2
SCHEMBL1004448 0.75 AKR1C4 (0.42) KMT2AMEN1TTRALBMAOA
SCHEMBL2960023 0.75 IKBKB (0.44) TTRALBMAOACNR1DRD1
SCHEMBL2959750 0.75 DHODH (0.51) KMT2AMEN1CASP3TTRALB
SCHEMBL1675544 0.72 TTR (0.54) KMT2AMEN1PGRCASP3TTR

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 KMT2A 3780/4885MEN1 1578/4885PGR 748/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A KMT2A 3780/4885MEN1 1578/4885PGR 748/4885

“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.