SCHEMBL5646339

SCHEMBL5646339

N=C(N)c1ccc2ccc(CN3C(=O)NC(CCCCCCCC(N)=O)(c4ccccc4)C3=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.51
CYP2C19 P33261 2/20 0.41
PLAU P00749 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
F7 P08709 1/20 0.37
PRSS1 P07477 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5645666 0.99 HDAC6 (0.52) HDAC6CYP2C19PLAUTDP1F2
SCHEMBL5647425 0.96 HDAC6 (0.51) HDAC6CYP2C19PLAUF2F10
SCHEMBL5649877 0.95 HDAC6 (0.51) HDAC6CYP2C19PLAUTDP1F2
SCHEMBL5650958 0.92 HDAC6 (0.49) HDAC6CYP2C19TDP1F2F10
SCHEMBL5644813 0.91 HDAC6 (0.50) HDAC6CYP2C19TDP1F2F10
SCHEMBL5649043 0.85 HDAC6 (0.61) HDAC6CYP2C19PLAUTDP1F2
SCHEMBL5646345 0.83 HDAC6 (0.45) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5645672 0.82 HDAC6 (0.46) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5649898 0.81 TDP1 (0.50) HDAC6PLAUTDP1F2F10
SCHEMBL5647534 0.79 HDAC6 (0.58) HDAC6CYP2C19PLAUF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199146-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2007-04-03 US disclosed
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-29 US disclosed
US-7053112-B2 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2006-05-30 US disclosed
US-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 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-20040122073-A1 Imidazolidinedione analogs useful as anticoagulants and antihrombotics SERPINC1, F2, BDKRB1 HDAC6 172/4885CYP2C19 62/4885PLAU 112/4885
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 HDAC6 501/4885CYP2C19 60/4885PLAU 96/4885

“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.