SCHEMBL7138772

SCHEMBL7138772

CCOC(=O)CCNCCC(=O)c1ccc(NC(=O)c2csc(NC(=O)NCc3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
NAMPT P43490 2/20 0.49
LMNA P02545 3/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PARP1 P09874 1/20 0.42
PPID Q08752 1/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL7145106 0.89 ROCK2 (0.48) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7537521 0.86 MAPT (0.47) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7136553 0.86 LMNA (0.50) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7147820 0.82 LMNA (0.48) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7142027 0.81 PPID (0.48) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7143549 0.81 LMNA (0.46) MAPTNAMPTLMNATP53RAB9A
SCHEMBL6881918 0.80 MAPT (0.47) MAPTNAMPTLMNATP53RAB9A
SCHEMBL15145661 0.80 PPID (0.60) MAPTNAMPTLMNATP53RAB9A
Hydrochloric Acid SCHEMBL7992406 0.80 PPID (0.47) MAPTNAMPTLMNATP53RAB9A
SCHEMBL7138766 0.79 LMNA (0.44) MAPTNAMPTLMNATP53RAB9A

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 MAPT 86/4885NAMPT 809/4885LMNA 3184/4885

“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.