SCHEMBL7143700

SCHEMBL7143700

CCOC(=O)CC(NC(=O)CNC(=O)c1csc(NC(=O)NCc2ccccc2)n1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 5/20 0.43
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 2/20 0.41
ITGAV P06756 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
PPID Q08752 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
PARP1 P09874 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7143196 0.92 ROCK2 (0.44) ROCK2ROCK1ITGB3ITGAVRAB9A
SCHEMBL27555889 0.90 ITGB3 (0.50) ROCK2ROCK1ITGB3ITGAVRAB9A
Acetic Acid SCHEMBL7143187 0.89 ITGB3 (0.48) ROCK2ROCK1ITGB3ITGAVRAB9A
SCHEMBL7314305 0.86 ITGB3 (0.42) ROCK2ALDH1A1ITGB3RAB9ASMN1; SMN2
SCHEMBL15150529 0.86 ROCK2 (0.39) ROCK2ROCK1RAB9ASMN1; SMN2NPC1
SCHEMBL7145393 0.85 HIF1A (0.47) ROCK2ROCK1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7140609 0.83 LMNA (0.55) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL7139848 0.83 LMNA (0.45) ROCK2ROCK1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6779485 0.82 NAMPT (0.50) ROCK2ITGB3ITGAVSMN1; SMN2NPC1
SCHEMBL8063429 0.82 ROCK2 (0.46) ROCK2ROCK1ALDH1A1RAB9ASMN1; 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 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 62/4885ALDH1A1 1400/4885

“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.