SCHEMBL3608201

SCHEMBL3608201

CCc1nc(NC(=N)N)sc1-c1cccc(NC(=O)CC(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.41
FNTB P49356 10/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APEX1 P27695 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
HPGD P15428 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 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
Acetic Acid SCHEMBL7142519 0.98 FNTA (0.40) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3601509 0.93 FNTA (0.40) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3598726 0.92 FNTA (0.39) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3600614 0.91 FNTA (0.39) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL7142521 0.90 MAPT (0.37) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3602477 0.90 XIAP (0.45) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL7143987 0.88 HTT (0.42) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL7136639 0.87 FNTA (0.43) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3593206 0.84 FNTA (0.46) FNTAFNTBSMN1; SMN2HTTPOLB
SCHEMBL3611002 0.82 FNTA (0.48) FNTAFNTBSMN1; SMN2HTTPOLB

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
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-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
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 FNTA 429/4885FNTB 307/4885SMN1; SMN2 3186/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 FNTA 2647/4885FNTB 2162/4885SMN1; SMN2 96/4885

“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.