SCHEMBL681346

SCHEMBL681346

CNCCCNC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.52
CXCL12 P48061 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL22175381 0.95 SIGMAR1 (0.55) CXCR4CXCL12SIGMAR1KDM4EHRH4
SCHEMBL27461328 0.93 SIGMAR1 (0.52) CXCR4CXCL12SIGMAR1KDM4EHRH4
SCHEMBL25963986 0.88 SIGMAR1 (0.47) CXCR4CXCL12SIGMAR1KDM4EHRH4
SCHEMBL7013588 0.88
SCHEMBL9417435 0.88 CXCR4 (0.61) CXCR4CXCL12KDM4EHRH4HRH3
SCHEMBL17733777 0.88 CXCR4 (0.61) CXCR4CXCL12KDM4EHRH4HRH3
SCHEMBL5348992 0.86 RAD52 (0.47) CXCR4CXCL12SIGMAR1KDM4EHRH3
Hydrochloric Acid SCHEMBL9714202 0.85 CXCR4 (0.59) CXCR4CXCL12KDM4ELMNAHRH4
SCHEMBL11523136 0.85 CXCR4 (0.57) CXCR4CXCL12KDM4EHRH4HRH3
SCHEMBL14508591 0.83 RAD52 (0.44) CXCR4CXCL12SIGMAR1KDM4ERAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119058235-A Fluid ejection head, method for manufacturing fluid ejection head, fluid ejection assembly, and fluid ejection device 株式会社理光 2024-12-03 CN disclosed
WO-2018132326-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-07-19 WO disclosed
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 US disclosed
CN-102037076-B One-liquid type cyanate epoxy composite resin composition ADEKA CORP 2014-05-28 CN disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
CN-102037076-A One-liquid type cyanate epoxy composite resin composition ADEKA CORP 2011-04-27 CN disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals GENESOFT PHARMACEUTICALS, INC. (US) 2008-08-21 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7348427-B2 Antipathogenic benzamide compounds GENESOFT PHARMACEUTICALS, INC. (US) 2008-03-25 US disclosed
US-7301037-B2 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT, INC. (US) 2007-11-27 US disclosed
US-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor GENESOFT PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20080200465-A1 Substituted with a morpholine group through amido heterocylic groups; interfering with the expression of genes essential for the pathogen's proliferation; treating viral and protozoan infections in mammals IRF3, BCL3, L3MBTL3 CXCR4 651/4885CXCL12 3971/4885SIGMAR1 1735/4885
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 CXCR4 2938/4885CXCL12 1429/4885SIGMAR1 3960/4885
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 CXCR4 3096/4885CXCL12 905/4885SIGMAR1 4638/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 CXCR4 2938/4885CXCL12 1429/4885SIGMAR1 3960/4885
US-20070105135-A1 Charged compounds comprising a nucleic acid binding moiety and uses therefor POLRMT, PCNA, SARS1 CXCR4 2901/4885CXCL12 2549/4885SIGMAR1 3997/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 CXCR4 2923/4885CXCL12 757/4885SIGMAR1 4729/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF CXCR4 644/4885CXCL12 1674/4885SIGMAR1 4070/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A CXCR4 789/4885CXCL12 55/4885SIGMAR1 4274/4885

“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.