SCHEMBL18130883

SCHEMBL18130883

CC(CO)NC(=O)c1cnc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.46
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 2/20 0.41
CNR1 P21554 3/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 5/20 0.40
BRD4 O60885 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HDAC4 P56524 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
SCHEMBL18130896 1.00 SIRT6 (0.46) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130884 1.00 SIRT6 (0.46) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130968 0.88 LMNA (0.45) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130942 0.88 LMNA (0.45) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130920 0.88 LMNA (0.45) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130947 0.85 LMNA (0.43) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130915 0.85 LMNA (0.43) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130879 0.85 CNR2 (0.55) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130929 0.85 CNR2 (0.55) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL18130962 0.85 CNR2 (0.55) SIRT6JUNNFKB1NFKB2RELA

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 SIRT6 2706/4885JUN 4738/4885NFKB1 935/4885
US-20180072760-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS ABCB11, ABCB7, BRI3BP SIRT6 2268/4885JUN 4684/4885NFKB1 514/4885
US-20180273553-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP SIRT6 2074/4885JUN 4663/4885NFKB1 622/4885

“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.