SCHEMBL4408017

SCHEMBL4408017

Fc1cccc(CCNCc2ccc(CN(CCNCc3ccccn3)CCNCc3ccccn3)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.74
ALOX15 P16050 1/20 0.49
NOS1 P29475 5/20 0.45
MPO P05164 1/20 0.42
KMT2A Q03164 3/20 0.42
NOS3 P29474 2/20 0.41
NOS2 P35228 1/20 0.41
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14293610 0.94 KDM4E (0.69) KDM4EALOX15NOS1MPOKMT2A
SCHEMBL4413889 0.89 KDM4E (0.56) KDM4EALOX15MPOKMT2ACHRM2
SCHEMBL4404501 0.87 KDM4E (0.55) KDM4EALOX15NOS1KMT2ANOS3
SCHEMBL4404341 0.85 KDM4E (0.50) KDM4EALOX15KMT2ACHRM2ALDH1A1
SCHEMBL4413514 0.85 KDM4E (0.50) KDM4EALOX15KMT2ACHRM2ALDH1A1
SCHEMBL4404505 0.84 CHRM2 (0.53) KDM4EALOX15KMT2ACHRM2ALDH1A1
SCHEMBL4409049 0.84 KDM4E (0.51) KDM4EALOX15KMT2ACHRM2ALDH1A1
SCHEMBL14293672 0.83 KDM4E (0.52) KDM4EALOX15MPOKMT2ACHRM2
SCHEMBL14293606 0.82 KDM4E (0.52) KDM4EALOX15NOS1KMT2ANOS3
SCHEMBL4409089 0.82 CHRM2 (0.57) KDM4EALOX15KMT2ACHRM2ALDH1A1

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
EP-1608352-B1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2009-12-30 EP disclosed
US-7504422-B2 Polyamine compounds TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2009-03-17 US disclosed
US-7504422-B2 Polyamine compounds TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2009-03-17 US disclosed
US-7504422-B2 Polyamine compounds TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2009-03-17 US disclosed
US-7399776-B2 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2008-07-15 US disclosed
US-7399776-B2 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2008-07-15 US disclosed
US-7399776-B2 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2008-07-15 US disclosed
US-20080058382-A1 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-03-06 US disclosed
US-20080058382-A1 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-03-06 US disclosed
US-20080058382-A1 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-03-06 US disclosed
WO-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed
EP-1608352-A4 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2007-11-28 EP disclosed
EP-1608352-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES Taigen Biotechnology (TW) 2005-12-28 EP disclosed
US-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2005-02-24 US disclosed
WO-2004089360-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY (TW) 2004-10-21 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 (2 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-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases CCL2, CCR2, CCR5 KDM4E 3882/4885ALOX15 1087/4885NOS1 503/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX KDM4E 1061/4885ALOX15 1349/4885NOS1 60/4885

“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.