SCHEMBL3613396

SCHEMBL3613396

CCOC(=O)CC(NC(=O)Nc1cccc(-c2sc(NC(=N)N)nc2C)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.41
MAPT P10636 8/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC3 O15379 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL3608289 0.91 XIAP (0.45) XIAPMAPTMEN1KMT2ALMNA
SCHEMBL3601272 0.88 ITGB3 (0.44) XIAPMAPTLMNAALDH1A1
SCHEMBL3603696 0.86 MEN1 (0.43) XIAPMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7145803 0.85 MEN1 (0.43) XIAPMAPTMEN1KMT2ALMNA
SCHEMBL3604997 0.83 XIAP (0.44) XIAPMAPTMEN1KMT2ALMNA
SCHEMBL7140503 0.80 ALDH1A1 (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3602477 0.78 XIAP (0.45) XIAPMAPTMEN1KMT2ALMNA
SCHEMBL3608807 0.78 ITGB3 (0.47) XIAP
SCHEMBL7138145 0.76 MAPT (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3608529 0.75 XIAP (0.47) XIAPMAPTMEN1KMT2ALMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
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 (2 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 XIAP 3269/4885MAPT 86/4885MEN1 681/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 XIAP 4640/4885MAPT 2/4885MEN1 3257/4885

“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.