SCHEMBL23780446

SCHEMBL23780446

FCc1nc(-c2ccc(CNc3cnccn3)cc2)no1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.70
HDAC1 Q13547 12/20 0.70
HDAC8 Q9BY41 8/20 0.70
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HDAC4 P56524 5/20 0.47
CYP3A4 P08684 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL23780447 0.83 HDAC6 (0.70) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL23780442 0.83 HDAC1 (0.69) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL19745104 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL23291979 0.79 HDAC1 (0.64) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL23780419 0.77 HDAC1 (0.62) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL23780461 0.77 HDAC1 (0.62) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL30172365 0.76 HDAC1 (0.60) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL3956196 0.72 ALDH1A1 (1.00) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL23780423 0.71 ALDH1A1 (0.60) HDAC6HDAC1HDAC8ALDH1A1KDM4E
SCHEMBL24860785 0.71 ALDH1A1 (0.60) HDAC6HDAC1HDAC8ALDH1A1KDM4E

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 5 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
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.