SCHEMBL7144846

SCHEMBL7144846

O=C(O)CCCc1csc(NC(=O)NCc2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.58
ROCK1 Q13464 11/20 0.58
SCD O00767 2/20 0.56
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
MMP3 P08254 1/20 0.46

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
SCHEMBL7140257 0.87 ROCK2 (0.48) ROCK2ROCK1SCDPDE5APDE1A
SCHEMBL7145943 0.86 LMNA (0.57) ROCK2ROCK1
SCHEMBL7454854 0.85 ROCK2 (0.62) ROCK2ROCK1SCDPDE5A
SCHEMBL5879508 0.83 ROCK2 (0.62) ROCK2ROCK1MMP3
SCHEMBL91397 0.83 ROCK2 (0.62) ROCK2ROCK1MMP3
Trifluoroacetic Acid SCHEMBL7142189 0.82 SCD (0.47) ROCK2ROCK1SCDPDE5APDE1A
SCHEMBL27491315 0.82 ROCK2 (0.47) ROCK2ROCK1SCDPDE5APDE1A
SCHEMBL3653731 0.81 ROCK2 (0.61) ROCK2ROCK1MMP3
SCHEMBL3653730 0.81 ROCK2 (0.60) ROCK2ROCK1SCDPDE5APDE1A
SCHEMBL6880276 0.80 ROCK2 (0.65) ROCK2ROCK1MMP3

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
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
CN-1355811-A Integrain receptor antagaonists BASF AG (DE) 2002-06-26 CN 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 62/4885SCD 3453/4885

“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.