SCHEMBL454402

SCHEMBL454402

N#Cc1ccc([C]=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 1/20 0.35
CYP11B2 P19099 2/20 0.35
CYP2A6 P11509 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL1026572 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL11776219 0.84 GRM5 (0.33) GRM5
SCHEMBL450833 0.83 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL20270120 0.78 GRM5 (0.47) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL22031497 0.78 GRM5 (0.40) EGLN2GRM5CA12CA2CA9
SCHEMBL12804631 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL455603 0.77
SCHEMBL17039218 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL16114979 0.75 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL15903138 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212510-A1 METHODS FOR TREATING NEURODEGENERATIVE DISORDERS PRAETEGO INC (US) 2023-11-02 WO disclosed
US-20230338344-A1 AMPK Activators and Methods of Use Thereof BIOVERATIV THERAPEUTICS INC. (US) 2023-10-26 US disclosed
EP-4221700-A1 AMPK ACTIVATORS AND METHODS OF USE THEREOF Bioverativ Therapeutics Inc. (US) 2023-08-09 EP disclosed
EP-4007632-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS Praetego, Inc. (US) 2022-06-08 EP disclosed
CN-114502546-A Inhibitors of advanced glycation endproducts 普拉特戈公司 2022-05-13 CN disclosed
US-20210163450-A1 Inhibitors of Advanced Glycation End Products PRAETEGO INC 2021-06-03 US disclosed
WO-2021022215-A1 INHIBITORS OF ADVANCED GLYCATION END PRODUCTS KHALIFAH RAJA G (US) 2021-02-04 WO disclosed
US-9783527-B2 Indazole ureas and method of use ABBVIE INC. (US) 2017-10-10 US disclosed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
EP-3194404-A1 INDAZOLE UREAS AND METHOD OF USE AbbVie Inc. (US) 2017-07-26 EP disclosed
US-20070072892-A1 Amino-aza-adamantane derivatives and methods of use ABBOTT LABORATORIES 2007-03-29 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (8 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-20070072892-A1 Amino-aza-adamantane derivatives and methods of use CHRNA7, CHRNA5, CHRNA1 ALDH1A1 1034/4885KDM4E 1441/4885L3MBTL1 3923/4885
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 ALDH1A1 4339/4885KDM4E 2987/4885L3MBTL1 1511/4885
US-20230338344-A1 AMPK Activators and Methods of Use Thereof PRKAG2, PRKAG3, PRKAG1 ALDH1A1 952/4885KDM4E 2836/4885L3MBTL1 2204/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALDH1A1 2435/4885KDM4E 1308/4885L3MBTL1 4050/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 ALDH1A1 3084/4885KDM4E 1366/4885L3MBTL1 4194/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 ALDH1A1 3901/4885KDM4E 1449/4885L3MBTL1 3013/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR ALDH1A1 2333/4885KDM4E 1540/4885L3MBTL1 4387/4885
US-20210163450-A1 Inhibitors of Advanced Glycation End Products AGER, GLA, GPR119 ALDH1A1 470/4885KDM4E 1590/4885L3MBTL1 2463/4885

“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.