SCHEMBL2566149

SCHEMBL2566149

Cc1cc(N)c(NCCCc2ccccc2)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.64
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SIGMAR1 Q99720 3/20 0.41
HPGD P15428 1/20 0.41
TYMP P19971 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
RIOX2 Q8IUF8 1/20 0.40
KDM8 Q8N371 1/20 0.40
CD44 P16070 1/20 0.40
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39

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 0.88 HDAC6 (0.71) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL2566601 0.81 HDAC6 (0.61) HDAC6HDAC1HDAC8KMT2AMEN1
SCHEMBL2564214 0.80 HDAC6 (0.52) HDAC6HDAC1HDAC8
SCHEMBL10251056 0.79 CD44 (0.47) HDAC6CD44TLR8TLR7
SCHEMBL2572116 0.79 HDAC6 (0.59) HDAC6HDAC1HDAC8NPC1KMT2A
SCHEMBL1424836 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL29351335 0.78 HDAC6 (1.00) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL2557246 0.78 WNK1 (0.53) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL12287570 0.76 HDAC6 (0.55) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL865777 0.74 KDM4E (0.43) MAPTKDM4ECD44

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.