SCHEMBL991813

SCHEMBL991813

CC(C)(C)OC(=O)N=C(N)N(CCCCCCCCCCCCN(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA14 Q9ULX7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL3488587 0.94 TDP1 (0.38) HDAC1HDAC2HDAC6CA14L3MBTL1
SCHEMBL6284923 0.94 CA14 (0.33) HDAC1HDAC2HDAC6CA14L3MBTL1
SCHEMBL5836122 0.93 CA14 (0.33) HDAC1HDAC2HDAC6CA14
SCHEMBL5846385 0.91 CA14 (0.31) HDAC1HDAC2HDAC6CA14
SCHEMBL5846398 0.91 CA14 (0.31) HDAC1HDAC2HDAC6CA14
SCHEMBL2905983 0.88 HDAC1 (0.33) HDAC1HDAC2HDAC6CA14
SCHEMBL8670355 0.86
SCHEMBL7241081 0.86 HDAC6 (0.34) HDAC1HDAC2HDAC6
SCHEMBL8671616 0.86 HDAC1 (0.31) HDAC1HDAC2HDAC6
SCHEMBL28323964 0.85 TDP1 (0.48) CA14MAOAMAOB

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-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 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
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 HDAC1 2018/4885HDAC2 2700/4885HDAC6 634/4885

“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.