SCHEMBL1109890

SCHEMBL1109890

Cc1cnc(C(O)(c2ccccc2)C2CCCC2)o1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
SCN1A P35498 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CHRM3 P20309 12/20 0.43
CHRM2 P08172 10/20 0.43
CHRM4 P08173 10/20 0.43
CHRM5 P08912 10/20 0.43
CHRM1 P11229 10/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 2/20 0.39

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
SCHEMBL1109803 0.99 CHRM3 (0.44) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL3234503 0.97 ATM (0.43) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL1109855 0.80 CYP2D6 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL3215163 0.80 CYP2D6 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL3218882 0.79 ALDH1A1 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL13329443 0.79 ALDH1A1 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL4776914 0.79 CHRM3 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL1109822 0.79 ALDH1A1 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL3223966 0.79 CHRM3 (0.40) ATML3MBTL1HRH1MEN1LMNA
SCHEMBL3223958 0.79 CHRM3 (0.40) ATML3MBTL1HRH1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 ATM 3153/4885L3MBTL1 800/4885HRH1 178/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 ATM 1461/4885L3MBTL1 3773/4885HRH1 183/4885

“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.