SCHEMBL23780452

SCHEMBL23780452

Cc1nc(-c2ccc(CNc3cnc(Cl)cn3)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC4 P56524 4/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 1/20 0.44
PLK1 P53350 1/20 0.41
MPO P05164 1/20 0.41
PTGS2 P35354 1/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
AOC3 Q16853 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL30172454 1.00 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780406 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780444 0.85 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL30172415 0.85 HDAC6 (0.45) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780464 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780459 0.82 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC4PTGS2
SCHEMBL23780453 0.82 PTGS2 (0.44) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780442 0.81 HDAC1 (0.69) HDAC6HDAC1HDAC8HDAC4POLB
SCHEMBL23780467 0.81 CLK4 (0.50) HDAC6HDAC1HDAC8POLBMAPT
SCHEMBL23780416 0.77 POLB (0.46) HDAC6HDAC1HDAC8HDAC4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 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-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HDAC6 233/4885HDAC1 203/4885HDAC8 647/4885

“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.