SCHEMBL3602744

SCHEMBL3602744

Cc1nc(NC(=N)N)sc1-c1cccc(NC(=O)CCCCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 8/20 0.45
HDAC6 Q9UBN7 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
XIAP P98170 1/20 0.44
PIK3CG P48736 1/20 0.44
GFER P55789 1/20 0.43
HDAC3 O15379 6/20 0.43
HDAC2 Q92769 5/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.43

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
SCHEMBL3603149 0.98 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3605756 0.94 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL7144719 0.94 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL3610869 0.90 MAPT (0.47) MEN1KMT2AALDH1A1HDAC1HDAC6
SCHEMBL3604013 0.88 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3608529 0.85 XIAP (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3602979 0.85 XIAP (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3602477 0.82 XIAP (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3609305 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8407707 0.81 HDAC6 (0.61) MEN1KMT2AALDH1A1KDM4EHPGD

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 12 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
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO 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-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 (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 MEN1 681/4885KMT2A 4510/4885ALDH1A1 1400/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 MEN1 3257/4885KMT2A 4116/4885ALDH1A1 1302/4885

“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.