SCHEMBL23780445

SCHEMBL23780445

Cc1nc(-c2ccc(CNc3cc(C(F)(F)F)ncn3)cc2)no1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.50
HDAC1 Q13547 11/20 0.50
HDAC8 Q9BY41 9/20 0.50
PTGS2 P35354 8/20 0.48
HDAC4 P56524 3/20 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
SCHEMBL23291999 0.85 MPO (0.44) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780459 0.83 HDAC6 (0.58) HDAC6HDAC1HDAC8PTGS2HDAC4
SCHEMBL23780453 0.83 PTGS2 (0.44) HDAC6HDAC1HDAC8PTGS2HDAC4
SCHEMBL23780472 0.82 MPO (0.42) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780460 0.80 HDAC6 (0.42) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780466 0.79 CYP1A2 (0.43) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780424 0.78 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23780463 0.74 CLK4 (0.52) HDAC6HDAC1HDAC8
SCHEMBL8198174 0.74 CYP1A2 (0.63) PTGS2
SCHEMBL23780442 0.73 HDAC1 (0.69) HDAC6HDAC1HDAC8HDAC4

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.