SCHEMBL165418

SCHEMBL165418

CCC(C(=O)c1cccnc1)N(C)N=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
APP P05067 1/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
SARM1 Q6SZW1 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
SIRT1 Q96EB6 1/20 0.42

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
SCHEMBL12158713 0.77 ALDH1A1 (0.53) HTTALDH1A1APPGAAHCAR3
SCHEMBL5069202 0.76 PLOD2 (0.48) HTTALDH1A1APPGAAHCAR3
SCHEMBL8698366 0.75 HTT (0.51) HTTALDH1A1APPGAAHCAR3
SCHEMBL13845395 0.75 ALDH1A1 (0.52) HTTALDH1A1APPGAAHCAR3
SCHEMBL18106041 0.75 PLOD2 (0.47) HTTALDH1A1APPGAAHCAR3
SCHEMBL2820809 0.74 ALDH1A1 (0.50) HTTALDH1A1APPGAAHCAR3
SCHEMBL5162022 0.74 ALDH1A1 (0.55) HTTALDH1A1APPGAAHCAR3
SCHEMBL9467060 0.74 ALDH1A1 (0.50) HTTALDH1A1APPGAAHCAR3
SCHEMBL27601968 0.74 F7 (0.53) HTTALDH1A1APPGAAHCAR3
SCHEMBL5068606 0.74 ALDH1A1 (0.41) HTTALDH1A1APPGAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408780-A2 METHOD AND PRODUCT FOR REMOVING CARCINOGENS FROM TOBACCO SMOKE Vector Tobacco Ltd. (BM) 2004-04-21 EP claimed
WO-2002037990-A2 METHOD AND PRODUCT FOR REMOVING CARCINOGENS FROM TOBACCO SMOKE VECTOR TOBACCO LTD. (BM) 2002-05-16 WO claimed
EP-2950674-B1 IMPROVED AEROSOL FROM TOBACCO PHILIP MORRIS PRODUCTS SA (CH) 2023-08-30 EP disclosed
EP-3830276-A2 METHOD FOR REDUCING THE CONTENT OF NITROSAMINE IN TOBACCO USING A CONSTITUTIVELY HIGH AFFINITY CATION EFFLUX TRANSPORTER British American Tobacco (Investments) Limited (GB) 2021-06-09 EP disclosed
US-10916350-B2 Systems and methods for quantifying the impact of biological perturbations PHILIP MORRIS PRODUCTS S.A. (CH) 2021-02-09 US disclosed
CN-112137158-A Protein-enriched tobacco-derived compositions R.J.雷诺兹烟草公司 2020-12-29 CN disclosed
US-20200363401-A1 Microfluidic Devices and Methods for Use Thereof in Multicellular Assays of Secretion THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-11-19 US disclosed
WO-2020025963-A2 METHOD BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2020-02-06 WO disclosed
US-10449224-B2 Flaxseed lignan complex, methods of using and compositions thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-10-22 US disclosed
US-20170235914-A1 SYSTEMS AND METHODS FOR QUANTIFYING THE IMPACT OF BIOLOGICAL PERTURBATIONS PHILIP MORRIS PRODUCTS S.A. (CH) 2017-08-17 US disclosed
CN-103479791-A Composition for counteracting smoking toxicity NAM JONG-HYUN 2014-01-01 CN disclosed
CN-103478833-A Composition for counteracting smoking toxicity NAM JONG-HYUN 2014-01-01 CN disclosed
US-8609708-B2 Synthetic compounds and derivatives as modulators of smoking or nicotine ingestion and lung cancer HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-12-17 US disclosed
EP-2611824-A2 HEAVY METAL REDUCTION IN PLANTA Philip Morris Products S.A. (CH) 2013-07-10 EP disclosed
CN-102596213-A Composition for relieving tobacco toxicity HYUN NAM JONG 2012-07-18 CN disclosed
WO-2012028309-A2 HEAVY METAL REDUCTION IN PLANTA PHILIP MORRIS PRODUCTS S.A. (CH) 2012-03-08 WO disclosed
US-20100298345-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100239696-A1 FLAXSEED LIGNAN COMPLEX, METHODS OF USING AMD COMPOSITIONS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-09-23 US disclosed
EP-1392133-A2 FUNCTIONAL AGENT FOR DECOMPOSING NICOTINE AND METHOD OF PREPARING THE SAME Jung, Jong-Moon (KR) 2004-03-03 EP disclosed
WO-2002065978-A2 FUNCTIONAL AGENT FOR DECOMPOSING NICOTINE AND METHOD OF PREPARING THE SAME REGEN BIOTECH, INC. (KR) 2002-08-29 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 (1 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-20100298345-A1 SYNTHETIC COMPOUNDS AND DERIVATIVES AS MODULATORS OF SMOKING OR NICOTINE INGESTION AND LUNG CANCER CYP2A13, CYP2A6, CYP2B6 HTT 2271/4885ALDH1A1 762/4885APP 1845/4885

“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.