SCHEMBL1005909

SCHEMBL1005909

Nc1nc2c(C(=O)O)cc(F)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.42
HTR3A P46098 2/20 0.36
KCNH2 Q12809 1/20 0.36
DHODH Q02127 4/20 0.36
MAOB P27338 2/20 0.36
IDO1 P14902 2/20 0.36
MAOA P21397 1/20 0.36
NFE2L2 Q16236 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TBK1 Q9UHD2 3/20 0.34
IKBKE Q14164 2/20 0.34
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
TSHR P16473 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL1004304 0.82 KDM4E (0.39) HTR3AKCNH2KMT2AALDH1A1GAA
SCHEMBL1007566 0.81 KCNH2 (0.52) KEAP1HTR3AKCNH2DHODHMAOB
SCHEMBL1006557 0.81 KDM4E (0.46) HTR3AKCNH2DHODHMAOBIDO1
SCHEMBL2961764 0.77 RCE1 (0.49) DHODHALDH1A1GAAKDM4ENPC1
SCHEMBL4312248 0.76 HTR3A (0.39) KEAP1HTR3AKCNH2DHODHMEN1
SCHEMBL3990631 0.73 MAOB (0.56) HTR3ADHODHMAOBIDO1MAOA
SCHEMBL2964178 0.69 GPR35 (0.48) HTR3AKCNH2DHODHGPR35ALDH1A1
SCHEMBL1004896 0.69 GABRP (0.39) KEAP1DHODHMAOBIDO1MAOA
SCHEMBL17651538 0.68 KEAP1 (0.59) KEAP1IDO1MEN1KMT2AALDH1A1
SCHEMBL25114081 0.68 TTR (0.43) HTR3AKCNH2MAOATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO 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 (1 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A KEAP1 4626/4885HTR3A 3/4885KCNH2 1871/4885

“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.