SCHEMBL2575397

SCHEMBL2575397

CN(C)C=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
MAP1LC3B Q9GZQ8 6/20 0.42
APP P05067 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL6837246 0.80 MAPT (0.41) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL6837311 0.75 MAP1LC3B (0.47) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL13855924 0.75 POLB (0.61) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL10098421 0.75 POLB (0.61) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL17887331 0.74 MAPT (0.41) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL60469 0.73 ALDH1A1 (0.47) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL18871095 0.73 APP (0.46) ALDH1A1MAPTGAAL3MBTL1APP
SCHEMBL3142596 0.71 SMN1; SMN2 (0.52) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL581954 0.71 ALDH1A1 (0.46) ALDH1A1MAPTGAANPSR1L3MBTL1
SCHEMBL7648836 0.71 ALDH1A1 (0.46) ALDH1A1MAPTGAANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 US disclosed
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2022-12-20 US disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-06-04 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
US-8697744-B2 Substituted 5,6-dihydro-4H-thiazolo[4,5-E]indazoles and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2014-04-15 US disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
US-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
EP-2382219-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-11-02 EP disclosed
WO-2010079238-A1 HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 WO disclosed
US-20090234111-A1 Novel Lactosamine Derivatives GLYCOM APS (DK) 2009-09-17 US disclosed
US-20090234111-A1 Novel Lactosamine Derivatives GLYCOM APS (DK) 2009-09-17 US disclosed
WO-2007104311-A1 NOVEL LACTOSAMINE DERIVATIVES GLYCOM APS (DK) 2007-09-20 WO disclosed
US-6765089-B1 FOR USE IN THE SYNTHESIS OF PEPTIDES, OLIGOSACCHARIDES, GLYCOPEPTIDES AND GLYCOLIPIDS ALCHEMIA PTY LTD (AU) 2004-07-20 US disclosed
WO-1998005671-A1 ORGANOSILICON COMPOUNDS AND THEIR USE IN COMBINATORIAL CHEMISTRY OXFORD ASYMMETRY INTERNATIONAL PLC. (GB) 1998-02-12 WO disclosed
EP-0590558-B1 Pharmaceutical composition containing 1,5,6,7-tetrahydro-4H-indazol-4-ones,new 1,5,6,7-tetrahydro-4H-indazol-4-ones and process for their manufacture THOMAE GMBH DR K (DE) 1995-12-06 EP disclosed
US-5468766-A Analgesics, antipyretics, antiphlogistics DR. KARL THOMAE GMBH (DE) 1995-11-21 US disclosed
EP-0590558-A1 Pharmaceutical composition containing 1,5,6,7-tetrahydro-4H-indazol-4-ones,new 1,5,6,7-tetrahydro-4H-indazol-4-ones and process for their manufacture Dr. Karl Thomae GmbH (DE) 1994-04-06 EP 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 (7 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 ALDH1A1 3550/4885MAPT 3677/4885GAA 4819/4885
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF PTPN1, PTPN7, PTPN22 ALDH1A1 4106/4885MAPT 4450/4885GAA 1010/4885
US-20090234111-A1 Novel Lactosamine Derivatives B3GNT2, FUT6, FUT5 ALDH1A1 1300/4885MAPT 4453/4885GAA 174/4885
US-20200170966-A1 USE OF AMINOMETHYLENECYCLOHEXANE-1,3-DIONE COMPOUND ATG7, BECN1, SQSTM1 ALDH1A1 3815/4885MAPT 584/4885GAA 896/4885
US-11529321-B2 Use of aminomethylenecyclohexane-1,3-dione compound ATG7, BECN1, SQSTM1 ALDH1A1 3815/4885MAPT 584/4885GAA 896/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A ALDH1A1 417/4885MAPT 4568/4885GAA 141/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A ALDH1A1 417/4885MAPT 4568/4885GAA 141/4885

“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.