SCHEMBL4697005

SCHEMBL4697005

NC(=O)c1cnc(CO)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.55
ADORA3 P0DMS8 1/20 0.47
TSHR P16473 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
KMT2A Q03164 1/20 0.40
LCK P06239 1/20 0.36
P4HTM Q9NXG6 3/20 0.35
LMNA P02545 1/20 0.34
P4HA1 P13674 1/20 0.33
MIF P14174 1/20 0.33
GSK3B P49841 1/20 0.33
NAMPT P43490 1/20 0.33
CYP2C19 P33261 1/20 0.33
NNMT P40261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 2/20 0.32

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
SCHEMBL30874232 1.00 SIRT6 (0.55) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL23680085 0.87 KDM4E (0.43) SIRT6TSHRKMT2AP4HTMLMNA
SCHEMBL2635320 0.83 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.81 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL20863062 0.81 SIRT6 (0.53) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL5903167 0.78 CCR1 (0.39) KDM4EALDH1A1
SCHEMBL29684052 0.78 SIRT6 (0.50) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL17712841 0.77 SIRT6 (0.64) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL14592876 0.76 SIRT6 (0.53) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL991320 0.76 MAPK1 (0.49) SIRT6LCKLMNACYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1889845-A1 NOVEL PLEUROMUTILIN DERIVATIVES SmithKline Beecham P.L.C. (GB) 2008-02-20 EP disclosed
EP-1538150-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2007-06-27 EP disclosed
US-7160907-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2007-01-09 US disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
EP-1538150-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-08 EP disclosed
EP-1351959-B1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6900345-B2 Pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2005-05-31 US disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
US-20050096357-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. 2005-05-05 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed
US-20040024059-A1 Novel pleuromutilin derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 US disclosed
EP-1351959-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-10-15 EP disclosed
WO-2002030929-A1 NOVEL PLEUROMUTILIN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-18 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 (3 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-20040024059-A1 Novel pleuromutilin derivatives PLEC, MLNR, FABP2 SIRT6 4196/4885ADORA3 3346/4885TSHR 2343/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885ADORA3 92/4885TSHR 1417/4885
US-20050096357-A1 Novel pleuromutilin derivatives FABP2, PLEC, MLNR SIRT6 3966/4885ADORA3 4150/4885TSHR 2330/4885

“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.