SCHEMBL7145896

SCHEMBL7145896

NC(CCC(=O)c1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
NAMPT P43490 5/20 0.43
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
LTA4H P09960 1/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39

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
SCHEMBL7537521 0.89 MAPT (0.47) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7142296 0.85 ROCK2 (0.48) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7145106 0.84 ROCK2 (0.48) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7146575 0.83 ROCK2 (0.50) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7145773 0.80 ROCK2 (0.53) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7992257 0.79 ROCK2 (0.46) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7145101 0.79 ITGB3 (0.48) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL7138772 0.78 MAPT (0.49) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL6875823 0.78 RAB9A (0.50) ROCK2ROCK1NAMPTRAB9AL3MBTL1
SCHEMBL6873139 0.77 ROCK2 (0.49) ROCK2ROCK1NAMPTRAB9AL3MBTL1

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 5 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
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

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 62/4885NAMPT 809/4885

“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.