SCHEMBL898696

SCHEMBL898696

O=C(O)c1ccccc1CN1CCCNCCNCCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CXCR4 P61073 14/20 0.54
MEN1 O00255 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
ADRA2C P18825 1/20 0.54
CCR2 P41597 1/20 0.54
CXCL12 P48061 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
LMNA P02545 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
BRD4 O60885 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
SCHEMBL31222568 0.93 LMNA (0.54) ALDH1A1CXCR4HRH3LMNASIGMAR1
SCHEMBL27416833 0.92 LMNA (0.55) ALDH1A1HRH3LMNASIGMAR1KDM5C
Hydrochloric Acid SCHEMBL6141847 0.90 LMNA (0.58) ALDH1A1MEN1CHRM2CHRM1KMT2A
SCHEMBL7433040 0.84 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNABRD4
SCHEMBL21044029 0.84 ALDH1A1 (0.48) ALDH1A1LMNASIGMAR1KDM5CKDM4C
SCHEMBL17929342 0.83 CXCR4 (0.61) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL11361974 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNABRD4
SCHEMBL6842740 0.79 LMNA (0.54) ALDH1A1HRH3LMNASIGMAR1BRD4
SCHEMBL15966079 0.77 LMNA (0.59) ALDH1A1CXCR4MEN1CHRM2CHRM1
SCHEMBL26682722 0.77 MPO (0.66) CXCR4MEN1CHRM2CHRM1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088134-A1 NOVEL BORONSOME FACILITATING DIAGNOSIS AND TREATMENT 北京大学 2023-05-25 WO disclosed
US-11591402-B2 Neutralizing antibodies to the alpha v beta 8 integrin complex for immunotherapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-28 US disclosed
US-20210277125-A1 ANTIBODIES THAT BIND INTEGRIN AVB8 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-09 US disclosed
US-20210230279-A1 NEUTRALIZING ANTIBODIES TO THE ALPHA V BETA 8 INTEGRIN COMPLEX FOR IMMUNOTHERAPY UNIV CALIFORNIA (US) 2021-07-29 US disclosed
US-10954304-B2 Neutralizing antibodies to the αvβ8 integrin complex for immunotherapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-03-23 US disclosed
US-20200338211-A1 METHOD OF TREATMENT FOR SOLID TUMORS CONTAINING HYPOXIA AND/OR STROMA FEATURES WAYNE STATE UNIVERSITY (US) 2020-10-29 US disclosed
US-20190218298-A1 NEUTRALIZING ANTIBODIES TO THE ALPHA V BETA 8 INTEGRIN COMPLEX FOR IMMUNOTHERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-18 US disclosed
US-9845357-B2 Integrin αvβ8 neutralizing antibody THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-19 US disclosed
US-9370489-B2 Combinational liposome compositions for cancer therapy MALLINCKRODT LLC (US) 2016-06-21 US disclosed
US-20160137737-A1 INTEGRIN ALPHA-V BETA8 NEUTRALIZING ANTIBODY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-05-19 US disclosed
US-20140234217-A1 REMOTE ASSEMBLY OF TARGETED NANOPARTICLES USING COMPLEMENTARY OLIGONUCLEOTIDE LINKERS MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2014-08-21 US disclosed
US-20130183236-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MALLINCKRODT INC. (US) 2013-07-18 US disclosed
US-20130121917-A1 Lipid-Peptide-Polymer Conjugates and Nanoparticles Thereof LAWRENCE BERKELEY NATIONAL LABORATORY (US) 2013-05-16 US disclosed
US-20130115273-A1 Combinational Liposome Compositions for Cancer Therapy MALLINCKRODT LLC (US) 2013-05-09 US disclosed
US-20130064837-A1 INTEGRIN ALPHA-V BETA8 NEUTRALIZING ANTIBODY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-14 US disclosed
US-20120082616-A1 Aptamer Conjugates for Targeting of Therapeutic and/or Diagnostic Nanocarriers MALLINCKRODT LLC (US) 2012-04-05 US disclosed
US-20110027172-A1 DRUG DELIVERY SYSTEM FOR PHARMACEUTICALS AND RADIATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
WO-2009110939-A9 DRUG DELIVERY SYSTEM FOR PHARMACEUTICALS AND RADIATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-11-26 WO disclosed
WO-2009110939-A2 DRUG DELIVERY SYSTEM FOR PHARMACEUTICALS AND RADIATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-09-11 WO disclosed
US-6395255-B1 ANALOG INCLUDES RADIOLABELING MOIETY OF FOUR AMINO ACIDS WHICH COMPLEX WITH SELECTED RADIONUCLEOTIDE, 4-AMINOBUTYRIC ACID, AND A SPECIFIC AMINO ACID SEQUENCE THOMAS JEFFERSON UNIVERSITY 2002-05-28 US 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-20130183236-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MMP3, MMP9, MMP17 ALDH1A1 1079/4885CXCR4 499/4885MEN1 2905/4885
US-20140234217-A1 REMOTE ASSEMBLY OF TARGETED NANOPARTICLES USING COMPLEMENTARY OLIGONUCLEOTIDE LINKERS UACA, POLRMT, SDCBP ALDH1A1 4469/4885CXCR4 871/4885MEN1 1091/4885
US-20120082616-A1 Aptamer Conjugates for Targeting of Therapeutic and/or Diagnostic Nanocarriers EPHA2, ANXA6, SLC10A1 ALDH1A1 1831/4885CXCR4 175/4885MEN1 2323/4885

“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.