SCHEMBL7138145

SCHEMBL7138145

CCOC(=O)CC(NC(=O)CNC(=O)c1nc(NC(=N)N)sc1-c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
CSNK1D P48730 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL7142342 0.91 ALDH1A1 (0.42) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL7141143 0.90 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7137554 0.89 ITGB3 (0.49) MEN1KMT2AITGB3ITGA2BTAOK1
SCHEMBL7140430 0.88 ALDH1A1 (0.41) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL7139106 0.87 ITGB3 (0.47) MAPTTP53SMN1; SMN2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL8067753 0.85 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1LMNACSNK1D
SCHEMBL7141536 0.83 SMN1; SMN2 (0.46) MAPTTP53SMN1; SMN2ALDH1A1LMNA
SCHEMBL7144851 0.82 ITGB3 (0.46) MEN1KMT2AITGB3ITGA2B
SCHEMBL7143982 0.82 ITGB3 (0.46) MEN1KMT2AITGB3ITGA2B
SCHEMBL7136545 0.81 ITGB3 (0.49) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 MAPT 86/4885TP53 525/4885SMN1; 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.