SCHEMBL4313348

SCHEMBL4313348

CN(C)C1CCN(C(=O)C(F)c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.59
HDAC1 Q13547 17/20 0.57
HDAC2 Q92769 7/20 0.55
HDAC3 O15379 5/20 0.55
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MCHR1 Q99705 1/20 0.52

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
SCHEMBL4309245 0.87 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4321246 0.87 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4309593 0.87 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4318134 0.86 HDAC1 (0.65) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4305941 0.84 HDAC1 (0.66) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4309231 0.84 HDAC1 (0.69) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4580132 0.83 MCHR1 (0.74) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4580136 0.83 MCHR1 (0.74) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4578742 0.81 HDAC1 (0.63) KCNH2HDAC1HDAC2HDAC3
SCHEMBL4580616 0.81 HDAC1 (0.63) KCNH2HDAC1HDAC2HDAC3

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-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US claimed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO 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 (1 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 KCNH2 3254/4885HDAC1 4/4885HDAC2 7/4885

“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.