SCHEMBL679133

SCHEMBL679133

CN1C(C)(C)c2ccccc2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PAX8 Q06710 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.33
NOTUM Q6P988 1/20 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
SCHEMBL24701663 0.78 CYP1A2 (0.35) KMT2AMAPTKDM4EMEN1MAPK1
SCHEMBL564222 0.77 NOTUM (0.36) KMT2AMAPTKDM4EMEN1MAPK1
SCHEMBL14392799 0.74 PDK2 (0.33) KMT2AMAPTKDM4EMEN1MAPK1
SCHEMBL676795 0.74 PDK2 (0.38) MAPTKDM4ELMNAHTTPDK2
SCHEMBL24701900 0.72 KMT2A (0.37) KMT2AMAPTKDM4EMEN1LMNA
SCHEMBL15614854 0.71 AKR1B1 (0.35) KMT2AMAPTMEN1
SCHEMBL15428009 0.70 SRD5A1 (0.38) KMT2AMAPTKDM4EMEN1MAPK1
SCHEMBL13297894 0.70 PGR (0.40) KMT2AKDM4EMEN1MAPK1LMNA
SCHEMBL9157168 0.70 SMN1; SMN2 (0.33) KMT2AMAPTKDM4EMEN1MAPK1
SCHEMBL11981166 0.69 PDK2 (0.37) KMT2AMAPTMEN1ALDH1A1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 US disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
US-10563000-B2 Low-temperature radical polymerisation of alkoxyamines ARKEMA FRANCE (FR) 2020-02-18 US disclosed
US-20190048118-A1 LOW-TEMPERATURE RADICAL POLYMERISATION OF ALKOXYAMINES ARKEMA FRANCE (FR) 2019-02-14 US disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20090018091-A1 Nitric Oxide Enhancing Antimicrobial Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-15 US disclosed
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use NITROMED, INC. (US) 2009-01-08 US disclosed
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use NICOX S.A. (FR) 2008-12-11 US disclosed
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
US-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-27 US disclosed
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-10-30 US disclosed
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2008-10-16 US disclosed
US-7396829-B2 such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions NITROMED, INC. (US) 2008-07-08 US disclosed
US-20080146737-A1 THERMOPLASTIC ELASTOMER COMPOSITION THE YOKOHAMA RUBBER CO., LTD. (JP) 2008-06-19 US disclosed
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-02-08 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 (11 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-20080293702-A1 Nitric Oxide Enhancing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 KMT2A 3491/4885MAPT 3311/4885KDM4E 1626/4885
US-20090012057-A1 Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use REN, EDNRB, ECE1 KMT2A 4066/4885MAPT 4102/4885KDM4E 2403/4885
US-20080306041-A1 Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use REN, NOX5, NOS3 KMT2A 4302/4885MAPT 3286/4885KDM4E 3076/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 KMT2A 2922/4885MAPT 1084/4885KDM4E 3816/4885
US-20090018091-A1 Nitric Oxide Enhancing Antimicrobial Compounds, Compositions and Methods of Use NOS1, NOS3, NOS2 KMT2A 3390/4885MAPT 4788/4885KDM4E 1815/4885
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 KMT2A 2084/4885MAPT 2059/4885KDM4E 2556/4885
US-20080268014-A1 Furoxan Compounds, Compositions and Methods of Use PTGIS, F3, PTGIR KMT2A 4266/4885MAPT 4696/4885KDM4E 2235/4885
US-20070032533-A1 Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use AGTR2, AGTR1, REN KMT2A 3084/4885MAPT 2700/4885KDM4E 2614/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 KMT2A 1876/4885MAPT 2472/4885KDM4E 4260/4885
US-20080293678-A1 Organic Nitric Oxide Donor Salts of Angiotensin Converting Enzyme Inhibitors, Compositions and Methods of Use NOS3, REN, NOS1 KMT2A 4143/4885MAPT 3188/4885KDM4E 1236/4885
US-20080255101-A1 NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE NOS1, NOS3, NOS2 KMT2A 4371/4885MAPT 3675/4885KDM4E 3049/4885

“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.