SCHEMBL989859

SCHEMBL989859

FC(F)(F)c1nc(CCCCCCCCCCCCc2noc(C(F)(F)F)n2)no1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.34
HDAC4 P56524 10/20 0.34
MIF P14174 2/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL24452460 0.91 HDAC4 (0.41) HDAC6HDAC4MIF
SCHEMBL20680138 0.89 CHRM2 (0.39) HDAC6HDAC4HDAC1HDAC8NR1I2
SCHEMBL20469590 0.84 PPARA (0.38) HDAC6HDAC4HDAC1HDAC8
SCHEMBL24259652 0.84 HDAC4 (0.32) HDAC6HDAC4MIFHDAC1
SCHEMBL2222989 0.82 ALDH1A1 (0.40) HDAC6HDAC4HDAC1HDAC8
SCHEMBL13838829 0.82 HDAC4 (0.33) HDAC6HDAC4MIFHDAC1
SCHEMBL22858812 0.82 ALDH1A1 (0.41) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL13189194 0.82 MIF (0.35) HDAC6HDAC4MIFHDAC1HDAC8
SCHEMBL9126570 0.82 MIF (0.33) HDAC6HDAC4MIFHDAC1HDAC8
Hydrochloric Acid SCHEMBL3713070 0.80 MIF (0.34) HDAC6HDAC4MIFHDAC1HDAC8

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 8 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
EP-1524972-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-04-27 EP disclosed
WO-2004009068-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-01-29 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 (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 HDAC6 634/4885HDAC4 2387/4885MIF 287/4885

“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.