SCHEMBL3211653

SCHEMBL3211653

CN(C)c1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
ACHE P22303 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 2/20 0.35

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
SCHEMBL589760 0.80 MAPT (0.38) MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL589567 0.78 MAPT (0.42) MAPTNPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL28044545 0.77 MAPT (0.35) MAPTALDH1A1
SCHEMBL590610 0.77 MAPT (0.33) MAPTNPSR1CYP3A4TSHRMAPK1
Trimethylammonium SCHEMBL27830880 0.76 ALDH1A1 (0.41) MAPTCYP3A4TSHRMAPK1TDP1
SCHEMBL590762 0.76 MAPT (0.35) MAPTALDH1A1
SCHEMBL441113 0.75 TSHR (0.45) MAPTCYP1A2CYP3A4TSHRMAPK1
SCHEMBL591107 0.74 PYCR1 (0.35) CYP1A2TSHRCA2ALDH1A1LMNA
SCHEMBL592328 0.73 HTR7 (0.49) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6759088 0.73 ALDH1A1 (0.53) MAPTCYP3A4CA9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN claimed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US claimed
WO-2021006267-A1 SALT OF PYRAZOLE DERIVATIVE AND PREPARATION OF PYRAZOLE DERIVATIVE グリーン・テック株式会社 2021-01-14 WO disclosed
WO-2020235582-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR MOTOR NEURON DISEASE グリーン・テック株式会社 (JP) 2020-11-26 WO disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-8962674-B2 Curcumin derivative TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-02-24 US disclosed
CN-102046575-B Therapeutic agent for alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-10-29 CN disclosed
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PHARMA EIGHT CO., LTD. (JP) 2014-03-27 US disclosed
EP-2698368-A1 NOVEL PYRAZOLE DERIVATIVE Pharma Eight Co. Ltd (JP) 2014-02-19 EP disclosed
CN-101558038-B Curcumin derivative TOKYO INST TECH 2013-05-01 CN disclosed
CN-102046575-A Therapeutic agent for alzheimer's disease TOKYO INST TECH 2011-05-04 CN disclosed
US-20100048901-A1 NOVEL CURCUMIN DERIVATIVE TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-25 US disclosed
EP-2123637-A1 NOVEL CURCUMIN DERIVATIVE Tokyo Institute of Technology (JP) 2009-11-25 EP disclosed
CN-101558038-A Novel curcumin derivative TOKYO INST TECH (JP) 2009-10-14 CN disclosed
EP-1117664-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GmbH (DE) 2001-07-25 EP disclosed
WO-2000020416-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GMBH (DE) 2000-04-13 WO disclosed
EP-0796250-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1997-09-24 EP disclosed
WO-1997013758-A1 PYRIDAZINONES AS ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-04-17 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-20100048901-A1 NOVEL CURCUMIN DERIVATIVE BACE1, APP, BACE2 MAPT 8/4885NPSR1 1048/4885PTGS2 1089/4885
US-20140088029-A1 NOVEL PYRAZOLE DERIVATIVE PSEN2, MAPT, PSEN1 MAPT 2/4885NPSR1 2403/4885PTGS2 2550/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 MAPT 3392/4885NPSR1 4338/4885PTGS2 4552/4885

“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.