SCHEMBL2566601

SCHEMBL2566601

CCCc1cc(NCCCc2ccccc2)c(N)cc1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.61
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
TLR8 Q9NR97 5/20 0.43
TLR7 Q9NYK1 5/20 0.43
SIGMAR1 Q99720 2/20 0.40
GRM2 Q14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38

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
SCHEMBL2571205 0.86 HDAC6 (0.71) HDAC6HDAC1HDAC8TLR8TLR7
SCHEMBL12287570 0.84 HDAC6 (0.55) HDAC6HDAC1HDAC8TLR8TLR7
SCHEMBL2566149 0.81 HDAC6 (0.64) HDAC6HDAC1HDAC8TLR8TLR7
SCHEMBL2554489 0.79 MAPT (0.49) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL2572116 0.77 HDAC6 (0.59) HDAC6HDAC1HDAC8TLR8TLR7
SCHEMBL1424836 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC8SIGMAR1MEN1
SCHEMBL29351335 0.76 HDAC6 (1.00) HDAC6HDAC1HDAC8SIGMAR1MEN1
SCHEMBL14658365 0.72 HDAC6 (0.42) HDAC6HDAC1HDAC8KDM4E
SCHEMBL2564214 0.72 HDAC6 (0.52) HDAC6HDAC1HDAC8
SCHEMBL11598417 0.72 MAPT (0.64) HDAC6HDAC1HDAC8SIGMAR1MEN1

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
EP-2555623-A1 FLAVIN DERIVATIVES BioRelix, Inc. (US) 2013-02-13 EP disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
US-20130029980-A1 FLAVIN DERIVATIVES COISH PHILIP D G (US) 2013-01-31 US disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 WO disclosed
WO-2011126567-A1 FLAVIN DERIVATIVES BIORELIX, INC. (US) 2011-10-13 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-20130029980-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS HDAC6 1870/4885HDAC1 2358/4885HDAC8 2411/4885

“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.