SCHEMBL15929462

SCHEMBL15929462

CNC12CNCCNCC(NCc3ccc(NC(=O)CBr)cc3)(CNCCNC1)CNCCNC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
NPC1 O15118 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTPN1 P18031 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.32

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
SCHEMBL15929434 0.94 HDAC6 (0.42) HDAC8HDAC6HDAC1HDAC3NPC1
SCHEMBL15929421 0.91 HDAC3 (0.41) HDAC8HDAC6HDAC1HDAC3NPC1
SCHEMBL15929437 0.88 HDAC1 (0.39) HDAC8HDAC6HDAC1HDAC3NPC1
SCHEMBL15929460 0.82 BCHE (0.47) HDAC8HDAC6HDAC1HDAC3LMNA
SCHEMBL15929410 0.81 MAPT (0.46) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL15929441 0.79 TMEM97 (0.36) HDAC8HDAC6HDAC1HDAC3LMNA
SCHEMBL22236871 0.75 MEN1 (0.38) HDAC8HDAC6HDAC1HDAC3NPC1
SCHEMBL15929420 0.73 BCHE (0.48) HDAC8HDAC6HDAC1HDAC3LMNA
SCHEMBL15929438 0.73 MAPT (0.51) LMNAPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL15929461 0.73 LOXL2 (0.41) NPC1LMNAPOLBMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219915-A1 CRYPTATE COMPOUNDS AUSTRALIAN NUCLEAR SCIENCE AND TECHNOLOGY ORGANISATION (AU) 2014-08-07 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-20140219915-A1 CRYPTATE COMPOUNDS HCCS, SQOR, NQO1 HDAC8 618/4885HDAC6 613/4885HDAC1 1310/4885

“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.