SCHEMBL2184223

SCHEMBL2184223

O=Cc1ccc(OCCCCCBr)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CYP2A6 P11509 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PRMT1 Q99873 3/20 0.42
F2 P00734 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
MAOA P21397 2/20 0.42
PLAU P00749 1/20 0.42
PRMT5 O14744 1/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
TMPRSS2 O15393 1/20 0.42
PTP4A3 O75365 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
SCHEMBL20211763 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL302512 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL302663 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL27828947 1.00 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL2182381 0.98 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL586117 0.92 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8549614 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373505 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL8373486 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL3113016 0.90 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
WO-2015165340-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE 南京明德新药研发股份有限公司 2015-11-05 WO disclosed
US-8288387-B2 Napthalimide-benzimidazole hybrids as potential antitumor agents and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-16 US disclosed
US-20110166346-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (AN INDIAN REGISTERED BODY INCORPORATED UNDER THE REGISTRATION OF SOCIETIES ACT (ACT XXI OF 1860)) (IN) 2011-07-07 US disclosed
US-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE` (FR) 2010-11-18 US disclosed
US-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE` (FR) 2010-11-18 US disclosed
US-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE` (FR) 2010-11-18 US disclosed
WO-2009110000-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOUR AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-09-11 WO disclosed
WO-2008003836-A1 USE OF FUNCTIONALIZED ONIUM SALTS FOR THE SYNTHESIS OF PEPTIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-01-10 WO disclosed
US-7259174-B2 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-08-21 US disclosed
US-20050267164-A1 Imidazolidinone compounds NATIONAL HEALTH RESEARCH INSTITUTES 2005-12-01 US disclosed
EP-0533933-A1 BISHETEROCYCLIC COMPOUND YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-03-31 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 (4 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-20100292439-A1 Use of Functionalized Onium Salts for Peptide Synthesis NPY1R, CNKSR1, NPBWR1 ALDH1A1 4149/4885SMN1; SMN2 3248/4885MAPT 4038/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 ALDH1A1 1424/4885SMN1; SMN2 696/4885MAPT 3673/4885
US-20050267164-A1 Imidazolidinone compounds MLX, EPX, ZYX ALDH1A1 2388/4885SMN1; SMN2 223/4885MAPT 4299/4885
US-20110166346-A1 NOVEL NAPTHALIMIDE-BENZIMIDAZOLE HYBRIDS AS POTENTIAL ANTITUMOR AGENTS AND PROCESS FOR THE PREPARATION THEREOF NAP1L4, NAP1L1, CCNI ALDH1A1 592/4885SMN1; SMN2 1870/4885MAPT 3299/4885

“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.