SCHEMBL23780461

SCHEMBL23780461

COC(=O)c1nc(-c2ccc(CNc3cnccn3)cc2)no1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.62
HDAC6 Q9UBN7 5/20 0.62
HDAC8 Q9BY41 4/20 0.62
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 4/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
SMPD1 P17405 3/20 0.42
POLB P06746 2/20 0.42
HDAC4 P56524 1/20 0.41

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
SCHEMBL23780442 0.82 HDAC1 (0.69) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL16264679 0.81 ALDH1A1 (0.62) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL23780447 0.77 HDAC6 (0.70) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL23780446 0.77 HDAC6 (0.70) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL19745104 0.76 HDAC6 (1.00) HDAC1HDAC6HDAC8HDAC4
SCHEMBL23291979 0.76 HDAC1 (0.64) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL28816287 0.74 MAPT (0.58) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL23780419 0.74 HDAC1 (0.62) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL30172365 0.73 HDAC1 (0.60) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL24326054 0.71 HTT (0.53) HDAC1HDAC8ALDH1A1KDM4EHPGD

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 HDAC1 203/4885HDAC6 233/4885HDAC8 647/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 HDAC1 203/4885HDAC6 233/4885HDAC8 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.