SCHEMBL2955048

SCHEMBL2955048

Cc1ccsc1-c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
IDO1 P14902 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
HTR3A P46098 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL2953670 0.84 TOP2A (0.41) TOP2AKMT2AMEN1IDO1MAOA
SCHEMBL2963715 0.84 MAOB (0.44) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL2963283 0.81 KMT2A (0.40) KMT2AMEN1MAOAALDH1A1KDM4E
SCHEMBL2963300 0.81 TOP2A (0.43) TOP2AKMT2AMEN1IDO1MAOA
SCHEMBL2955256 0.79 MYC (0.49) TOP2AKMT2AMEN1IDO1MAOA
SCHEMBL3401507 0.77 TOP2A (0.58) TOP2AIDO1MAOAMAOBALDH1A1
SCHEMBL2961704 0.77 DHODH (0.47) TOP2AKMT2AMEN1IDO1MAOA
SCHEMBL2954460 0.76 HTR3A (0.68) HTR3A
SCHEMBL2954456 0.76 HTR3A (0.68) HTR3A
SCHEMBL2964084 0.76 TOP2A (0.45) TOP2AKMT2AMEN1IDO1MAOA

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 1421/4885KMT2A 3780/4885MEN1 1578/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A TOP2A 1421/4885KMT2A 3780/4885MEN1 1578/4885

“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.