SCHEMBL1006726

SCHEMBL1006726

O=C(O)c1cccc2oc(N3CCNc4ccccc43)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
HTR6 P50406 4/20 0.40
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR3A P46098 6/20 0.37
HCAR2 Q8TDS4 1/20 0.36
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TOP2A P11388 1/20 0.34
PTPN11 Q06124 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1003473 0.87 TOP2A (0.45) PIM1HTR3AKCNH2ALDH1A1TOP2A
SCHEMBL1003474 0.82 PIM1 (0.40) PIM1HTR6HTR3APTPN11
SCHEMBL1005458 0.78 HTR3A (0.70) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005035 0.77 HTR3A (0.69) HTR3AKCNH2
SCHEMBL1005143 0.74 HTR6 (0.46) HTR6IDO1MAOAMAOBHTR3A
SCHEMBL1006561 0.72 HTR3A (0.45) HTR6IDO1MAOAMAOBHTR3A
SCHEMBL1004884 0.72 HTR6 (0.50) HTR6IDO1MAOAMAOBHTR3A
SCHEMBL1006313 0.71 HTR3A (0.60) HTR6IDO1MAOAMAOBHTR3A
SCHEMBL1005978 0.71 HCAR2 (0.47) HTR6HTR3AHCAR2KCNH2ALDH1A1
SCHEMBL1004342 0.70 HTR6 (0.58) HTR6IDO1MAOAMAOBHTR3A

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
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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 PIM1 4404/4885HTR6 14/4885IDO1 43/4885

“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.