SCHEMBL4311941

SCHEMBL4311941

NN(C(=O)c1ccc(C(F)C(=O)O)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
KAT6A Q92794 2/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 2/20 0.38
HPGDS O60760 1/20 0.38
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
FFAR1 O14842 1/20 0.35
CETP P11597 1/20 0.35
PSMB5 P28074 1/20 0.35
CHRM4 P08173 1/20 0.35
ERN1 O75460 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CCKAR P32238 1/20 0.34
HTR5A P47898 1/20 0.34

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
SCHEMBL4312315 0.88 KCNH2 (0.41) KCNH2KAT6AABL1BCRHDAC3
SCHEMBL4577912 0.85 KDM4E (0.44) KAT6AABL1BCRHPGDSHDAC3
SCHEMBL2210468 0.79 HDAC1 (0.45) KCNH2HDAC3HDAC1HDAC2
SCHEMBL4579984 0.79 NPC1 (0.46) KCNH2ABL1BCRHDAC3HDAC1
SCHEMBL4579133 0.78 HDAC2 (0.47) KAT6AABL1BCRHDAC3HDAC1
SCHEMBL4578969 0.78 FFAR1 (0.56) HPGDSHDAC1FFAR1CHRM4
SCHEMBL1066509 0.77 HDAC3 (0.41) ABL1BCRHDAC3HDAC1HDAC2
SCHEMBL2210374 0.76 HDAC1 (0.43) KCNH2HDAC3HDAC1HDAC2
SCHEMBL2209991 0.76 HDAC1 (0.43) KCNH2HDAC3HDAC1HDAC2CETP
SCHEMBL2210455 0.75 ALDH1A1 (0.47) KCNH2HDAC1CETP

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 6 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
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP claimed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO 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 3254/4885KAT6A 29/4885ABL1 321/4885

“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.