SCHEMBL4926151

SCHEMBL4926151

O=C(NCc1ccccc1C(F)(F)F)c1ccc(-c2ccncc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
ACKR3 P25106 1/20 0.52
EPHX2 P34913 9/20 0.52
GRK3 P35626 2/20 0.50
ROCK2 O75116 2/20 0.50
PRKCA P17252 2/20 0.50
GRK2 P25098 2/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50

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
SCHEMBL4929271 0.86 HPGD (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4929191 0.84 EPHX2 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4929281 0.83 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4927509 0.83 HDAC1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4925658 0.83 KMT2A (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4926122 0.82 ROCK2 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4918189 0.81 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4930312 0.80 ESRRG (0.74) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4919086 0.80 ESRRG (0.53) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4927694 0.79 RXFP1 (0.51) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN HDAC1 261/4885HDAC6 210/4885HDAC3 201/4885

“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.