SCHEMBL1005315

SCHEMBL1005315

COC(=O)c1cccc2oc(N3CCn4ccnc4C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
HTR3A P46098 10/20 0.41
KCNH2 Q12809 2/20 0.41
P2RX7 Q99572 1/20 0.38
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CB P42338 1/20 0.36
HDAC11 Q96DB2 1/20 0.34
HTR6 P50406 1/20 0.34
SCD O00767 1/20 0.34
SCD5 Q86SK9 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
Lithium Ion SCHEMBL1005845 0.87 HTR3A (0.40) HTR3AKCNH2P2RX7HDAC11HTR6
SCHEMBL1005847 0.87 HTR3A (0.40) HTR3AKCNH2P2RX7HDAC11HTR6
SCHEMBL1008094 0.81 TOP2A (0.47) TOP2AHTR3AKCNH2GAAKMT2A
SCHEMBL1007229 0.80 HTR6 (0.52) TOP2AHTR3AKCNH2GAAKMT2A
SCHEMBL1004421 0.79 HTR3A (0.71) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1003567 0.78 HTR3A (0.70) HTR3AKCNH2
SCHEMBL1004233 0.78 HTR3A (0.46) TOP2AHTR3AKCNH2KMT2APIK3CB
SCHEMBL1006005 0.78 TOP2A (0.50) TOP2AHTR3AKCNH2GAAKMT2A
SCHEMBL1004911 0.77 HTR3A (0.59) TOP2AHTR3AKCNH2GAAPIK3CB
SCHEMBL1008338 0.77 TOP2A (0.42) TOP2AHTR3AKCNH2P2RX7PIK3CB

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 TOP2A 323/4885HTR3A 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.