SCHEMBL4094117

SCHEMBL4094117

NCCCCCN(CC(=O)O)Cc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.50
HRH1 P35367 2/20 0.50
CHRM2 P08172 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIN28A Q9H9Z2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
HDAC1 Q13547 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2474794 1.00 CXCR4 (0.50) CXCR4HRH1CHRM2MAPTSMN1; SMN2
SCHEMBL3929940 0.95 SMN1; SMN2 (0.53) CXCR4HRH1CHRM2MAPTSMN1; SMN2
SCHEMBL8507962 0.89 SMN1; SMN2 (0.56) HRH1MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL12453816 0.89 SMN1; SMN2 (0.59) MAPTSMN1; SMN2LIN28ATDP1HDAC1
SCHEMBL8208011 0.86 SMN1; SMN2 (0.60) MAPTSMN1; SMN2LIN28ATDP1HDAC1
SCHEMBL8211406 0.86 SMN1; SMN2 (0.60) MAPTSMN1; SMN2LIN28ATDP1HDAC1
SCHEMBL2831556 0.86 MAPT (0.68) CXCR4HRH1CHRM2MAPTSMN1; SMN2
SCHEMBL2818579 0.86 SMN1; SMN2 (0.68) MAPTSMN1; SMN2LIN28ATDP1HDAC1
SCHEMBL13764390 0.86 MAPT (0.68) CXCR4HRH1CHRM2MAPTSMN1; SMN2
SCHEMBL13797705 0.85 SMN1; SMN2 (0.48) MAPTSMN1; SMN2LIN28ATDP1HDAC1

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
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1682113-B1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LTD (GB) 2008-01-23 EP disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
US-20070184537-A1 Method for the linkage of bifunctional chelating agents and (radioactive) transition metal complexes to proteins and peptides PAUL SCHERRER INSTITUT (CH) 2007-08-09 US disclosed
US-20070104644-A1 Inhibitor imaging agents CUTHBERTSON ALAN 2007-05-10 US disclosed
CN-1901894-A Inhibitor imaging agents GE HEALTHCARE LTD (GB) 2007-01-24 CN disclosed
EP-1682113-A1 INHIBITOR IMAGING AGENTS GE Healthcare Limited (GB) 2006-07-26 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO disclosed
WO-2005049005-A1 INHIBITOR IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2005-06-02 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 (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-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS CXCR4 926/4885HRH1 2593/4885CHRM2 4858/4885
US-20070184537-A1 Method for the linkage of bifunctional chelating agents and (radioactive) transition metal complexes to proteins and peptides EPRS1, SLC7A11, QPCTL CXCR4 3859/4885HRH1 2813/4885CHRM2 4370/4885
US-20070104644-A1 Inhibitor imaging agents MMP3, MMP1, MMP10 CXCR4 2982/4885HRH1 3306/4885CHRM2 4657/4885

“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.