SCHEMBL7145393

SCHEMBL7145393

CCOC(=O)CC(NC(=O)CNC(=O)c1csc(NC(=O)NCCc2ccccc2)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 4/20 0.42
TP53 P04637 2/20 0.41
PARP1 P09874 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL7139848 0.91 LMNA (0.45) ROCK2ROCK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7137180 0.89 ROCK2 (0.50) HIF1AROCK2ROCK1SMN1; SMN2LMNA
SCHEMBL7140609 0.88 LMNA (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8063429 0.87 ROCK2 (0.46) ROCK2ROCK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL8063433 0.86 PARP1 (0.44) ROCK2ROCK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7143700 0.85 ROCK2 (0.43) ROCK2ROCK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL7141536 0.85 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7140159 0.81 SMN1; SMN2 (0.43) ROCK2ROCK1SMN1; SMN2NPC1RAB9A
SCHEMBL7139882 0.81 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL7145472 0.80 ITGB3 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA

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 8 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
CN-1224718-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 CN 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 HIF1A 2218/4885ROCK2 180/4885ROCK1 62/4885

“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.