SCHEMBL7140468

SCHEMBL7140468

O=C(O)CCCCCNC(=O)c1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 5/20 0.54
EGLN2 Q96KS0 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
LMNA P02545 1/20 0.47
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
HIF1A Q16665 1/20 0.46
EPHX1 P07099 1/20 0.46
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL7143256 0.90 LMNA (0.51) ROCK2ROCK1LMNAHDAC3HDAC1
SCHEMBL7140592 0.86 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL7141146 0.85 ROCK2 (0.59) ROCK2ROCK1HIF1A
SCHEMBL7145508 0.84 ROCK2 (0.53) ROCK2ROCK1EGLN2EGLN1HIF1A
SCHEMBL7140453 0.84 ROCK2 (0.48) ROCK2ROCK1EGLN2EGLN1HDAC3
SCHEMBL7140446 0.84 ROCK2 (0.48) ROCK2ROCK1EGLN2EGLN1HDAC3
SCHEMBL7141230 0.83 ROCK2 (0.48) ROCK2ROCK1EGLN2EGLN1HIF1A
SCHEMBL7141236 0.83 ROCK2 (0.48) ROCK2ROCK1EGLN2EGLN1HIF1A
Hydrochloric Acid SCHEMBL7145017 0.83 ROCK2 (0.52) ROCK2ROCK1EGLN2EGLN1HIF1A
SCHEMBL18595010 0.83 ROCK2 (0.59) ROCK2ROCK1HIF1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US claimed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ROCK2 180/4885ROCK1 62/4885EGLN2 4211/4885

“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.