SCHEMBL991815

SCHEMBL991815

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 7/20 0.44
CA2 P00918 7/20 0.44
CA12 O43570 5/20 0.44
CA9 Q16790 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL18257737 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18256745 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18256747 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL5490993 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18257733 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL20185050 0.94 TDP1 (0.65) TDP1MAOAMAOBCA1CA2
SCHEMBL18866874 0.94 TDP1 (0.49) TDP1MAOAMAOBCA1CA2
SCHEMBL23679995 0.93 MAOA (0.49) TDP1MAOAMAOBCA1CA2
SCHEMBL20184979 0.93 TDP1 (0.48) TDP1MAOAMAOBCA1CA2
SCHEMBL23796908 0.93 MAOA (0.52) TDP1MAOAMAOBCA1CA2

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 TDP1 3443/4885MAOA 126/4885MAOB 162/4885

“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.