SCHEMBL23780443

SCHEMBL23780443

Fc1cc(-c2noc(C(F)(F)F)n2)ccc1CNc1cnccn1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.72
HDAC1 Q13547 19/20 0.72
HDAC8 Q9BY41 12/20 0.72
HDAC4 P56524 7/20 0.54
HDAC5 Q9UQL6 2/20 0.54
HDAC3 O15379 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL23780462 0.85 HDAC1 (0.51) HDAC6HDAC1HDAC8
SCHEMBL19745104 0.84 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL19745211 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780428 0.82 HDAC1 (0.48) HDAC6HDAC1HDAC8
SCHEMBL23780448 0.79 HDAC1 (0.72) HDAC6HDAC1HDAC8HDAC5
SCHEMBL30172354 0.79 HDAC1 (0.72) HDAC6HDAC1HDAC8HDAC5
SCHEMBL22530176 0.77 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL22530707 0.75 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL22530204 0.75 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL20528666 0.75 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC4HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US claimed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP claimed
US-12187712-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-01-07 US disclosed
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed
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
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 (2 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-12187712-B2 Cardiac sarcomere inhibitors TNNI3, TNNT2, MYLK2 HDAC6 233/4885HDAC1 203/4885HDAC8 647/4885
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.