SCHEMBL1006005

SCHEMBL1006005

COC(=O)c1cccc2oc(N3CCCCC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.50
HTR3A P46098 6/20 0.49
KCNH2 Q12809 2/20 0.49
RIPK1 Q13546 1/20 0.44
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR6 P50406 2/20 0.41
PIK3CB P42338 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL1080222 0.90 HTR6 (0.48) TOP2AHTR3AKCNH2KDM4ESMN1; SMN2
SCHEMBL1007229 0.89 HTR6 (0.52) TOP2AHTR3AKCNH2KDM4ESMN1; SMN2
SCHEMBL1004911 0.89 HTR3A (0.59) TOP2AHTR3AKCNH2KDM4EGAA
SCHEMBL1005890 0.88 TOP2A (0.48) TOP2AHTR3AKCNH2KDM4EGAA
SCHEMBL1007867 0.87 ALDH1A1 (0.48) TOP2AHTR3AKCNH2KDM4EGAA
SCHEMBL1008094 0.86 TOP2A (0.47) TOP2AHTR3AKCNH2NPSR1RAB9A
SCHEMBL1007287 0.86 HTR3A (0.48) TOP2AHTR3AKCNH2RIPK1SMN1; SMN2
SCHEMBL1006464 0.85 TOP2A (0.46) TOP2AHTR3AKCNH2KDM4ESMN1; SMN2
SCHEMBL1004884 0.84 HTR6 (0.50) HTR3AKCNH2SMN1; SMN2HTR6LMNA
SCHEMBL1005073 0.82 PARP1 (0.44) TOP2AHTR3AKCNH2SMN1; SMN2GAA

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.