SCHEMBL1008052

SCHEMBL1008052

CC(C)(C)OC(=O)N1CC(Nc2nc3c(C(=O)O)cccc3o2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.42
HTR3A P46098 2/20 0.41
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
POLR1A O95602 1/20 0.40
BRD4 O60885 1/20 0.39
MMP13 P45452 1/20 0.39
USP30 Q70CQ3 2/20 0.39
NAMPT P43490 1/20 0.39
EHMT2 Q96KQ7 1/20 0.38
POLB P06746 1/20 0.38
BTK Q06187 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
SCHEMBL1004889 0.91 TOP2A (0.42) PARP1HTR3APIM1PIM2POLR1A
SCHEMBL1121489 0.90 PARP1 (0.48) PARP1MMP13BTK
SCHEMBL1004897 0.82 HTR3A (0.61) HTR3A
SCHEMBL1121524 0.81 ALDH1A1 (0.49) PARP1PIM1PIM2MMP13BTK
SCHEMBL1003499 0.79 HTR3A (0.47) PARP1HTR3APOLR1AMMP13
SCHEMBL1121448 0.79 ALDH1A1 (0.48) PARP1MMP13BTK
SCHEMBL1005424 0.79 HTR3A (0.47) PARP1HTR3APOLR1AMMP13
SCHEMBL4409888 0.79 HTR3A (0.47) PARP1HTR3APOLR1AMMP13
SCHEMBL1004307 0.78 HCAR2 (0.47) PARP1POLB
SCHEMBL1121669 0.78 ALDH1A1 (0.49) PARP1MMP13

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 PARP1 1738/4885HTR3A 3/4885PIM1 4404/4885

“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.