SCHEMBL1005364

SCHEMBL1005364

COC(=O)c1cc(Cl)cc2oc(NC(=O)OC(C)(C)C)nc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.48
LCK P06239 5/20 0.42
CCR2 P41597 2/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
TOP2A P11388 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
CA2 P00918 1/20 0.33
SERPINH1 P50454 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2946522 0.80 LCK (0.42) ATRLCKTOP2AALDH1A1HPGD
SCHEMBL1005229 0.77 ALDH1A1 (0.40) KDM4ETOP2ASERPINH1ALDH1A1HPGD
SCHEMBL1006334 0.77 HTR3A (0.42) LCKALDH1A1
SCHEMBL1006333 0.76 HTR3A (0.66) ALDH1A1
SCHEMBL1006187 0.75 HTR3A (0.51) KDM4ETOP2ASERPINH1ALDH1A1HPGD
SCHEMBL31430564 0.74 LCK (0.56) ATRLCKKDM4EALDH1A1HPGD
SCHEMBL1005312 0.73 NQO2 (0.39) KDM4ETOP2ASERPINH1ALDH1A1HPGD
SCHEMBL8081384 0.71 LCK (0.38) LCKCCR2KDM4EALDH1A1HPGD
SCHEMBL1003564 0.71 STS (0.37) ANO1
SCHEMBL4410093 0.71 STS (0.37) ANO1

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 2 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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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 (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 ATR 3682/4885LCK 3395/4885CCR2 1015/4885

“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.