SCHEMBL7145097

SCHEMBL7145097

CCOC(=O)CC(NC(=O)c1cccc(NC(=O)c2csc(NC(=N)N)n2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ABCB1 P08183 1/20 0.41
HTT P42858 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 2/20 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
SCHEMBL7140557 0.89 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2AROCK2
SCHEMBL7140555 0.89 ITGB3 (0.58) ITGB3ITGA2BMEN1KMT2AROCK2
SCHEMBL7140503 0.86 ALDH1A1 (0.49) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7144065 0.85 ITGB3 (0.45) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7141536 0.82 SMN1; SMN2 (0.46) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7139882 0.82 SMN1; SMN2 (0.45) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL3601272 0.80 ITGB3 (0.44) ITGB3ITGA2BF10F2LMNA
SCHEMBL3839471 0.79 GPR139 (0.47) ITGB3ITGA2BF10F2MEN1
SCHEMBL7146957 0.77 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7140471 0.76 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A

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-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 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 ITGB3 7/4885ITGA2B 106/4885SMN1; SMN2 3186/4885

“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.