SCHEMBL4928076

SCHEMBL4928076

O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.58
ACKR3 P25106 4/20 0.56
ROCK1 Q13464 7/20 0.53
CYP3A4 P08684 4/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
MMP13 P45452 1/20 0.53
MAPK14 Q16539 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ROCK2 O75116 7/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 3/20 0.53
PRKACA P17612 3/20 0.53
PRKX P51817 3/20 0.53
PRKCQ Q04759 3/20 0.53
GSK3A P49840 2/20 0.53
GSK3B P49841 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51

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
SCHEMBL4919982 0.88 ROCK1 (0.69) ACKR3ROCK1CYP3A4MMP13ROCK2
SCHEMBL4930312 0.87 ESRRG (0.74) ESRRGACKR3ROCK1MMP13ROCK2
SCHEMBL4928319 0.85 ROCK1 (0.70) ESRRGACKR3ROCK1CYP3A4MAPK14
SCHEMBL4925690 0.83 ACKR3 (0.57) ESRRGACKR3ROCK1CYP3A4LMNA
SCHEMBL4929840 0.82 ESRRG (0.56) ESRRGACKR3ROCK1CYP3A4ROCK2
SCHEMBL4929351 0.82 ACKR3 (0.58) ESRRGACKR3ROCK1ROCK2PRKACA
SCHEMBL4928176 0.82 ROCK2 (0.57) ESRRGACKR3ROCK1CYP3A4MMP13
SCHEMBL4929172 0.82 HDAC1 (0.59) ESRRGACKR3ROCK1CYP3A4ROCK2
SCHEMBL4932331 0.82 DYRK1A (0.59) ESRRGACKR3ROCK1ROCK2HDAC3
SCHEMBL4924579 0.81 HDAC3 (0.68) ESRRGACKR3ROCK1MMP13SMN1; SMN2

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 2336/4885ACKR3 3798/4885ROCK1 968/4885

“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.