SCHEMBL1004889

SCHEMBL1004889

COC(=O)c1cccc2oc(NC3CN(C(=O)OC(C)(C)C)C3)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
PARP1 P09874 6/20 0.41
HTR3A P46098 2/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
POLR1A O95602 1/20 0.39
NAMPT P43490 1/20 0.38
NR1H2 P55055 1/20 0.38
RIPK1 Q13546 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL1008052 0.91 PARP1 (0.42) PARP1HTR3APIM1PIM2EHMT2
SCHEMBL1121524 0.90 ALDH1A1 (0.49) PARP1PIM1PIM2ALDH1A1
SCHEMBL1005158 0.81 HTR3A (0.48) TOP2APARP1HTR3APOLR1ANAMPT
SCHEMBL1004355 0.81 HTR3A (0.48) TOP2APARP1HTR3APOLR1ANAMPT
SCHEMBL1004469 0.81 HTR3A (0.48) TOP2APARP1HTR3APOLR1ANAMPT
SCHEMBL1121489 0.81 PARP1 (0.48) PARP1ALDH1A1
SCHEMBL1005157 0.81 HTR3A (0.48) TOP2APARP1HTR3APOLR1ANAMPT
SCHEMBL1004897 0.81 HTR3A (0.61) HTR3A
SCHEMBL1005073 0.80 PARP1 (0.44) TOP2APARP1HTR3APOLB
SCHEMBL1004552 0.79 HTR3A (0.46) TOP2APARP1HTR3ANR1H2POLB

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 TOP2A 323/4885PARP1 1738/4885HTR3A 3/4885

“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.