SCHEMBL5645672

SCHEMBL5645672

NN=Cc1ccc2ccc(CN3C(=O)NC(CCCCC(N)=O)(c4ccccc4)C3=O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.46
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 2/20 0.37
CTRB1 P17538 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5646345 0.99 HDAC6 (0.45) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5649884 0.95 HDAC6 (0.46) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5647431 0.94 HDAC6 (0.45) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5644821 0.91 HDAC6 (0.45) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5650964 0.90 HDAC6 (0.44) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5645666 0.83 HDAC6 (0.52) HDAC6CYP2C19TDP1CTRB1KMT2A
SCHEMBL5646339 0.82 HDAC6 (0.51) HDAC6CYP2C19TDP1KMT2A
SCHEMBL5647169 0.79 TDP1 (0.44) HDAC6TDP1CTRB1KMT2A
SCHEMBL5649877 0.79 HDAC6 (0.51) HDAC6CYP2C19TDP1
SCHEMBL5647425 0.78 HDAC6 (0.51) HDAC6CYP2C19

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 62/4885TDP1 1348/4885
US-20060142363-A1 Imidazolidinedione analogs useful as anticoagulants and antithrombotics SERPINC1, F2, BDKRB1 HDAC6 501/4885CYP2C19 60/4885TDP1 1027/4885

“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.