SCHEMBL21579433

SCHEMBL21579433

O=C(Nc1ccc(Oc2ccccc2)c(Cl)c1)c1cc(I)cc(I)c1O

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 10/20 0.84
MEN1 O00255 1/20 0.84
HSPD1 P10809 1/20 0.84
PIK3CA P42336 1/20 0.84
HTT P42858 1/20 0.84
BLM P54132 1/20 0.84
HSPE1 P61604 1/20 0.84
KMT2A Q03164 1/20 0.84
STK39 Q9UEW8 8/20 0.71
PARG Q86W56 3/20 0.71

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
Rafoxanide SCHEMBL118031 0.91 PNLIP (1.00) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL29422184 0.91 PNLIP (1.00) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL20413308 0.89 PNLIP (0.84) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL21579434 0.89 PNLIP (0.84) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL13818501 0.86 PNLIP (0.69) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL20844337 0.82 PNLIP (0.84) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL5310526 0.81 PNLIP (0.79) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL23685897 0.81 PNLIP (0.80) PNLIPMEN1HSPD1PIK3CAHTT
SCHEMBL22475377 0.81 PNLIP (0.80) PNLIPMEN1HSPD1PIK3CAHTT
Rafoxanide SCHEMBL22362599 0.79 PNLIP (0.75) PNLIPMEN1HSPD1PIK3CAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190350891-A1 METHODS FOR TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTIONS THE SCRIPPS RESEARCH INSTITUTE 2019-11-21 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-20190350891-A1 METHODS FOR TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTIONS FABP2, COX15, SI PNLIP 353/4885MEN1 4569/4885HSPD1 213/4885

“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.