SCHEMBL989803

SCHEMBL989803

ClC(Cl)(Cl)c1nc(CCCCCCCCCCCCc2noc(C(Cl)(Cl)Cl)n2)no1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 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
SCHEMBL7520821 0.89 STAT3 (0.38) STAT3
SCHEMBL9127965 0.83 STAT3 (0.42) STAT3
SCHEMBL17115072 0.82 ALDH1A1 (0.41) STAT3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17115038 0.79 STAT3 (0.39) STAT3
SCHEMBL8761432 0.78 STAT3 (0.44) STAT3
SCHEMBL17115075 0.77 STAT3 (0.41) STAT3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17115073 0.75 STAT3 (0.39) STAT3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17115052 0.73 STAT3 (0.41) STAT3
SCHEMBL11832844 0.72 STAT3 (0.40) STAT3
SCHEMBL20680138 0.69 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012985-B2 parasiticides, in particularly against Plasmodium and babesia; antimalarial agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-09-06 US disclosed
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
US-20050176819-A1 Compounds with antiparasitic activity and medicines containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2005-08-11 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-20050176819-A1 Compounds with antiparasitic activity and medicines containing same ACHE, MPO, PDF STAT3 4700/4885CHRM2 2102/4885CHRM4 2511/4885

“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.