SCHEMBL18130950

SCHEMBL18130950

O=C(NC1(CO)CC1)c1cnc(Cl)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.51
▸ SIRT6 Q8N6T7 1/20 0.45
▸ CNR1 P21554 1/20 0.43
▸ JUN P05412 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ANO1 Q5XXA6 2/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ SCN9A Q15858 2/20 0.38

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
SCHEMBL20254516 0.78 CNR2 (0.47) CNR2CNR1ANO1SCN9A
SCHEMBL14331848 0.75 JUN (0.51) CNR2SIRT6JUNNFKB1NFKB2
SCHEMBL23880058 0.74 SCN9A (0.48) CNR2CNR1ANO1SCN9A
SCHEMBL29688345 0.74 GRM5 (0.48) —
SCHEMBL31306894 0.73 SIRT6 (0.62) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL932448 0.73 SIRT6 (0.62) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130913 0.72 SIRT6 (0.52) SIRT6CNR1JUNNFKB1NFKB2
SCHEMBL2088153 0.71 CNR2 (0.47) CNR2
SCHEMBL422747 0.70 SIRT6 (0.57) SIRT6CNR1JUNNFKB1NFKB2
SCHEMBL16987317 0.69 SIRT6 (0.52) SIRT6CNR1JUNNFKB1NFKB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273553-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. 2018-09-27 — — US disclosed
US-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-07-03 — — US disclosed
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2018-03-15 — — US disclosed
EP-3280717-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS Anacor Pharmaceuticals, Inc. (US) 2018-02-14 — — EP disclosed
WO-2016164814-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2016-10-13 — — 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 (3 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-10011616-B2 Boron-containing small molecules as antiprotozoal1 agents HBS1L, DBNL, BOD1L1 CNR2 4077/4885SIRT6 2706/4885CNR1 3494/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP CNR2 3765/4885SIRT6 2268/4885CNR1 3398/4885
US-20180273553-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CNR2 3801/4885SIRT6 2074/4885CNR1 3362/4885

“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.

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