SCHEMBL4928176

SCHEMBL4928176

Cc1cccc(CNC(=O)c2ccc(-c3ccncc3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.57
ROCK1 Q13464 4/20 0.57
ESRRG P62508 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ACKR3 P25106 4/20 0.55
MMP13 P45452 1/20 0.52
MAOB P27338 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 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
SCHEMBL4919672 0.88 ACKR3 (0.59) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4922556 0.86 HDAC3 (0.59) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4930312 0.86 ESRRG (0.74) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4929840 0.86 ESRRG (0.56) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4929172 0.86 HDAC1 (0.59) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4929351 0.86 ACKR3 (0.58) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4932331 0.86 DYRK1A (0.59) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4919982 0.85 ROCK1 (0.69) ROCK2ROCK1ACKR3MMP13CYP3A4
SCHEMBL4924579 0.85 HDAC3 (0.68) ROCK2ROCK1ESRRGHDAC1HDAC3
SCHEMBL4919514 0.83 ESRRG (0.58) ROCK2ROCK1ESRRGHDAC1HDAC3

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 ROCK2 1488/4885ROCK1 968/4885ESRRG 2336/4885

“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.