SCHEMBL3602040

SCHEMBL3602040

Cc1nc(NC(=N)N)sc1-c1cccc(NC(=O)CC(CC(=O)O)c2cccc(Br)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
CTSA P10619 1/20 0.42
XIAP P98170 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CB P42338 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
CLK1 P49759 1/20 0.38
RAB9A P51151 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
SCHEMBL3602477 0.92 XIAP (0.45) FNTAFNTBXIAPMEN1KMT2A
SCHEMBL3610900 0.89 MEN1 (0.51) FNTAFNTBMEN1KMT2AALDH1A1
SCHEMBL3593206 0.88 FNTA (0.46) FNTAFNTBXIAPMEN1KMT2A
SCHEMBL3602965 0.88 ITGB3 (0.43) CTSAXIAPALDH1A1MAPTHTT
SCHEMBL3611002 0.87 FNTA (0.48) FNTAFNTBXIAPMEN1KMT2A
SCHEMBL3602979 0.84 XIAP (0.45) XIAPMEN1KMT2AALDH1A1MAPT
SCHEMBL3608529 0.84 XIAP (0.47) XIAPMEN1KMT2AALDH1A1MAPT
SCHEMBL3603696 0.84 MEN1 (0.43) XIAPMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7145803 0.83 MEN1 (0.43) XIAPMEN1KMT2AALDH1A1MAPT
SCHEMBL3610431 0.83 FNTA (0.50) FNTAFNTBXIAPMEN1KMT2A

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 FNTA 429/4885FNTB 307/4885CTSA 2013/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 FNTA 2647/4885FNTB 2162/4885CTSA 913/4885

“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.