SCHEMBL472874

SCHEMBL472874

C=CCC1=Nc2ccccc2C(=O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 6/20 0.33
CASP3 P42574 2/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPT P10636 3/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
GAA P10253 2/20 0.31
ALPL P05186 1/20 0.31
ALPG P10696 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL11766523 0.81 XDH (0.31) GABRA1GABRB2
SCHEMBL3014252 0.78 ALDH1A1 (0.36) LMNAL3MBTL1HTTALDH1A1CASP3
SCHEMBL14311341 0.78 ALDH1A1 (0.34) LMNAL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL4764684 0.78 SHMT2 (0.39) LMNAL3MBTL1HTTALDH1A1CASP3
SCHEMBL19211201 0.78 ALDH1A1 (0.34) LMNAL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2363208 0.77 CHEK1 (0.36) GAACES1MEN1KMT2A
SCHEMBL11234716 0.76 NOS3 (0.36) LMNAALDH1A1MAPTPKMBCHE
SCHEMBL9175519 0.75 SHMT2 (0.34) LMNAL3MBTL1HTTALDH1A1KDM4E
SCHEMBL9176975 0.74 KDM4E (0.32) LMNAL3MBTL1HTTALDH1A1KDM4E
SCHEMBL8780480 0.73 PTPN1 (0.35) ALDH1A1KDM4EMAPTCES1APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224534-A Lactam for treating skin lesions 联合利华知识产权控股有限公司 2023-12-15 CN disclosed
WO-2023227856-A1 AN ELECTROCHEMICAL SENSOR AND METHOD FOR DETECTING PATHOGENIC METABOLITES UNIVERSITY OF DURHAM (GB) 2023-11-30 WO disclosed
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis Universität Konstanz (DE) 2023-03-07 US disclosed
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections Universität Konstanz (DE) 2021-12-23 US disclosed
US-11160787-B2 4-(4-chlorophenyl)-5-methylene-pyrrol-2-one and 5-methylene-4-(p-tolyl)pyrrol-2-one for use in the treatment of gram negative bacterial infections CONOPCO, INC. (US) 2021-11-02 US disclosed
US-11083706-B2 Lactams for use in the treatment of skin lesions CONOPCO, INC. (US) 2021-08-10 US disclosed
EP-3833338-A1 COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS Universität Konstanz (DE) 2021-06-16 EP disclosed
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis Universität Wien (AT) 2021-06-10 US disclosed
US-10875830-B2 Method of treatment Conopeo, Inc. (US) 2020-12-29 US disclosed
US-10863748-B2 Antibacterial products and processes for preparing antibacterial products from maple syrup LUONG JOHN HA THANH (CA) 2020-12-15 US disclosed
EP-2598651-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION Sanofi-Aventis Deutschland GmbH (DE) 2013-06-05 EP disclosed
US-20130123360-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-05-16 US disclosed
WO-2012154651-A2 MOLECULAR ROADBLOCKS FOR RPON BINDING SITES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-11-15 WO disclosed
WO-2012013621-A1 METHODS AND USES RELATING TO THE IDENTIFICATION OF COMPOUND ASSOCIATED WITH BACTERIAL INFECTION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-02-02 WO disclosed
EP-2412819-A1 Methods and uses relating to the identification of compound associated with bacterial infection Sanofi-Aventis Deutschland GmbH (DE) 2012-02-01 EP disclosed
US-20110172826-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC 2011-07-14 US disclosed
US-20110046195-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-02-24 US disclosed
US-20110028945-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC, 2011-02-03 US disclosed
US-20110027181-A1 Device including altered microorganisms, and methods and systems of use SEARETE LLC 2011-02-03 US disclosed
WO-2007008769-A2 USE OF PSEUDAN AND PSEUDAN INCLUSION BODIES GEORGE MASON UNIVERSITY (US) 2007-01-18 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 (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-20110046195-A1 Non-Lactone Carbocyclic and Heterocyclic Antagonists and Agonists of Bacterial Quorum Sensing BID, HCAR1, HCAR2 LMNA 4349/4885L3MBTL1 661/4885HTT 3194/4885
US-11596626-B2 Compound for use against pathogenic Neisseria and Haemophilus species and Moraxella catarrhalis MLEC, MPO, B3GNT2 LMNA 1268/4885L3MBTL1 4513/4885HTT 786/4885
US-20110027181-A1 Device including altered microorganisms, and methods and systems of use DNASE1, MTREX, POLI LMNA 1919/4885L3MBTL1 1345/4885HTT 1835/4885
US-20210169869-A1 Compound for Use Against Pathogenic Neisseria and Haemophilus Species and Moraxella Catarrhalis MLEC, MPO, B3GNT2 LMNA 1268/4885L3MBTL1 4513/4885HTT 786/4885
US-10875830-B2 Method of treatment CFTR, MGAM, NRDC LMNA 3042/4885L3MBTL1 2882/4885HTT 4596/4885
US-20210393586-A1 Compounds for Use in the Treatment of Bacterial Infections BLVRB, ELANE, BPGM LMNA 4425/4885L3MBTL1 197/4885HTT 4192/4885
US-11083706-B2 Lactams for use in the treatment of skin lesions CUTA, MGAM, DPM1 LMNA 2819/4885L3MBTL1 1276/4885HTT 4873/4885
US-11160787-B2 4-(4-chlorophenyl)-5-methylene-pyrrol-2-one and 5-methylene-4-(p-tolyl)pyrrol-2-one for use in the treatment of gram negative bacterial infections PGLS, PNKP, PPIL4 LMNA 4566/4885L3MBTL1 563/4885HTT 3395/4885

“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.