SCHEMBL4919086

SCHEMBL4919086

O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.53
MLYCD O95822 1/20 0.53
CCR1 P32246 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
MEN1 O00255 1/20 0.52
PLA2G1B P04054 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 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
SCHEMBL4929448 0.89 ACKR3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4918189 0.89 HDAC1 (0.57) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4929351 0.85 ACKR3 (0.58) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4928319 0.84 ROCK1 (0.70) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4930312 0.83 ESRRG (0.74) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4929840 0.83 ESRRG (0.56) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4932331 0.83 DYRK1A (0.59) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4928176 0.83 ROCK2 (0.57) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL4929172 0.83 HDAC1 (0.59) ESRRGHDAC3HDAC4HDAC1HDAC7
SCHEMBL14007256 0.83 MLYCD (0.51) ESRRGMLYCDCCR1HDAC3HDAC4

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 ESRRG 2336/4885MLYCD 761/4885CCR1 3240/4885

“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.