SCHEMBL18345979

SCHEMBL18345979

O=C/C=C/c1cc(Br)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TRPA1 O75762 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
KCNA3 P22001 1/20 0.32
CYP2A6 P11509 1/20 0.32
XDH P47989 1/20 0.31

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
SCHEMBL5807863 1.00 CES2 (0.35) CES2CES1NPC1MAPTMEN1
SCHEMBL2491542 0.81 NPC1 (0.40) CES2CES1NPC1MAPTMEN1
SCHEMBL2491537 0.81 NPC1 (0.40) CES2CES1NPC1MAPTMEN1
SCHEMBL23006 0.77
SCHEMBL12877449 0.73
SCHEMBL5807860 0.72 CES2 (0.34) CES2CES1NPC1MAPTMEN1
SCHEMBL5807862 0.72 CES2 (0.34) CES2CES1NPC1MAPTMEN1
SCHEMBL380484 0.71 HCAR2 (0.48) CES2CES1NPC1MAPTMEN1
SCHEMBL380483 0.71 HCAR2 (0.48) CES2CES1NPC1MAPTMEN1
SCHEMBL6876999 0.70 TRPA1 (0.31) LMNAALDH1A1TRPA1ALOX5MAPK1

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
EP-3313837-B1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-09-09 EP disclosed
US-10570129-B2 Carboline antiparasitics ZOETIS SERVICES LLC (US) 2020-02-25 US disclosed
US-20200031822-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2020-01-30 US disclosed
EP-3313837-A1 CARBOLINE ANTIPARASITICS Zoetis Services LLC (US) 2018-05-02 EP disclosed
WO-2016209635-A1 CARBOLINE ANTIPARASITICS ZOETIS SERVICES LLC (US) 2016-12-29 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 (2 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-10570129-B2 Carboline antiparasitics ADRA1D, DRD1, CHRM1 CES2 415/4885CES1 612/4885NPC1 1667/4885
US-20200031822-A1 CARBOLINE ANTIPARASITICS DRD1, ADRA1D, DRD2 CES2 327/4885CES1 440/4885NPC1 1255/4885

“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.