SCHEMBL5042874

SCHEMBL5042874

FC(F)(F)Oc1ccc(C=Cc2nc(CCl)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
NCOR2 Q9Y618 1/20 0.37
SHMT2 P34897 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5042873 1.00 HDAC1 (0.42) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL5401800 0.82 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5401803 0.82 HDAC1 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL5045008 0.79 HDAC1 (0.42) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL5045006 0.79 HDAC1 (0.42) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL5757647 0.77 HDAC1 (0.58) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL5757650 0.77 HDAC1 (0.58) HDAC1HDAC6KDM4ERAB9AALDH1A1
SCHEMBL5040848 0.77 HDAC1 (0.40) HDAC1HDAC6KDM4EALDH1A1TDP1
SCHEMBL5040845 0.77 HDAC1 (0.40) HDAC1HDAC6KDM4EALDH1A1TDP1
SCHEMBL2705784 0.75 KDM4E (0.65) KDM4ERAB9AALDH1A1TDP1SHMT2

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-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
CN-1930154-A Ether derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 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-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 HDAC1 600/4885HDAC6 1270/4885KDM4E 1088/4885

“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.