SCHEMBL5036186

SCHEMBL5036186

O=C(OCc1ccccc1)c1ccc(N2CCC(N3CCNCCNCCNCC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EGFR P00533 1/20 0.39
LIPE Q05469 1/20 0.38
PLAT P00750 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL5033016 0.94 ALDH1A1 (0.44) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL1514885 0.78 HTR3E (0.44) KMT2ATDP1ALDH1A1TSHRHPGD
SCHEMBL1514961 0.78 HTR3E (0.44) KMT2ATDP1ALDH1A1TSHRHPGD
SCHEMBL5038822 0.78 GLA (0.42) KMT2AALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL2303266 0.78 ALDH1A1 (0.61) LMNAKMT2ATDP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL1515013 0.77 KMT2A (0.44) KMT2ATDP1ALDH1A1HPGDRAB9A
Hydrochloric Acid SCHEMBL16174815 0.77 KMT2A (0.44) KMT2ATDP1ALDH1A1HPGDRAB9A
SCHEMBL5038813 0.74 CASP3 (0.41) KMT2ATSHRRAB9ANPC1SMN1; SMN2
SCHEMBL23301320 0.71 SLC6A2 (0.49) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL23460505 0.70 POLB (0.61) LMNAKMT2ATDP1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409024-B1 MACROCYCLIC METAL COMPLEXES AND USE THEREOF FOR PRODUCTION OF CONJUGATES WITH BIOMOLECULES BAYER SCHERING PHARMA AG (DE) 2008-08-06 EP disclosed
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2007-01-18 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-11 US disclosed
EP-1450864-A2 CONJUGATES OF MACROCYCLIC METAL COMPLEXES WITH BIOMOLECULES AND THE UTILIZATION THEREOF FOR PRODUCING AGENTS FOR USE IN NMR DIAGNOSIS AND RADIODIAGNOSIS AND RADIOTHERAPY Schering AG (DE) 2004-09-01 EP disclosed
EP-1409024-A1 MACROCYCLIC METAL COMPLEXES AND USE THEREOF FOR PRODUCTION OF CONJUGATES WITH BIOMOLECULES Schering AG (DE) 2004-04-21 EP disclosed
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy SCHERING AG (DE) 2003-11-06 US disclosed
US-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2003-06-12 US disclosed
WO-2003013617-A2 CONJUGATES OF MACROCYCLIC METAL COMPLEXES WITH BIOMOLECULES AND THE UTILIZATION THEREOF FOR PRODUCING AGENTS FOR USE IN NMR DIAGNOSIS AND RADIODIAGNOSIS AND RADIOTHERAPY SCHERING AG (DE) 2003-02-20 WO disclosed
WO-2003009874-A1 MACROCYCLIC METAL COMPLEXES AND USE THEREOF FOR PRODUCTION OF CONJUGATES WITH BIOMOLECULES SCHERING AG (DE) 2003-02-06 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 (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-20030108486-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 LMNA 4252/4885KMT2A 2384/4885TDP1 4513/4885
US-20070014725-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 LMNA 3930/4885KMT2A 2370/4885TDP1 4495/4885
US-20030206865-A1 Conjugates of macrocyclic metal complexes with biomolecules and their use for the production of agents for NMR diagnosis and radiodiagnosis as well as radiotherapy CA13, CA14, CA12 LMNA 3930/4885KMT2A 2370/4885TDP1 4495/4885
US-20070009442-A1 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules CA13, MPI, CA14 LMNA 4252/4885KMT2A 2384/4885TDP1 4513/4885

“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.