SCHEMBL1109767

SCHEMBL1109767

Cc1cnc(C(=O)c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
ALDH1A1 P00352 4/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SRD5A2 P31213 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
VNN1 O95497 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
SCHEMBL30301340 0.77 TUBB4A (0.55) FAAHALDH1A1PKMHPGDKMT2A
SCHEMBL16930689 0.77
SCHEMBL1109798 0.75 ALDH1A1 (0.41) FAAHALDH1A1ATMTDP1L3MBTL1
SCHEMBL10121134 0.72
SCHEMBL5210936 0.69 CES1 (0.48) FAAHALDH1A1ATMTDP1L3MBTL1
Benzophenone SCHEMBL28280871 0.68 ALDH1A1 (0.93) ALDH1A1ATMTDP1L3MBTL1HPGD
SCHEMBL2141020 0.68 MAPK1 (0.43) FAAHALDH1A1ATMTDP1L3MBTL1
SCHEMBL7386275 0.68 MAPT (0.53) ALDH1A1PKMHPGDHTTKMT2A
SCHEMBL12921446 0.67 HDAC1 (0.55) ALDH1A1ATMTDP1L3MBTL1HPGD
SCHEMBL4004784 0.67 FAAH (0.50) FAAHALDH1A1ATMTDP1L3MBTL1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101636390-B Napadisylate salt of a muscarinic M3 antagonist ARGENTA DISCOVERY LTD GB 2013-06-12 CN 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
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
CN-101678005-B Combination of a muscarinic receptor antagonist and a beta-2 adrenergic receptor agonist ARGENTA DISCOVERY LTD 2012-10-31 CN disclosed
CN-101282949-B Azole and thiazole derivatives and uses thereof ARGENTA DISCOVERY LTD 2012-05-23 CN disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US disclosed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 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
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST 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
EP-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2008017827-A2 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LIMITED (GB) 2008-02-14 WO disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 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-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 FAAH 4278/4885ALDH1A1 900/4885ATM 1461/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A FAAH 1846/4885ALDH1A1 1344/4885ATM 3096/4885

“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.