SCHEMBL2289168

SCHEMBL2289168

COC(=O)Cc1ccc(NC=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL12985251 0.85 MAPT (0.56) SMN1; SMN2ALDH1A1MAPTTP53LMNA
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL11041084 0.81 POLB (0.44) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL14418359 0.80 SLC7A5 (0.50) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL9053071 0.80 EPHX2 (0.50) CYP4F2CYP4A11NPC1RAB9AL3MBTL1
SCHEMBL27864655 0.79 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL693471 0.79 CA2 (0.52) SMN1; SMN2ALDH1A1RAB9ATP53LMNA
SCHEMBL2286242 0.79 CYP4F2 (0.61) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL4765888 0.79 CYP4F2 (0.56) CYP4F2CYP4A11SMN1; SMN2ALDH1A1NPC1
SCHEMBL9825759 0.79 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936716-B Tool muscarinic receptor antagonists and the diamide compound of beta 2 adrenoreceptor agonists activity 施万呼吸有限责任公司 2016-09-07 CN disclosed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
CN-102056898-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-05-11 CN disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 CYP4F2 4324/4885CYP4A11 4126/4885SMN1; SMN2 1018/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 CYP4F2 4324/4885CYP4A11 4126/4885SMN1; SMN2 1018/4885

“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.