SCHEMBL4413889

SCHEMBL4413889

Fc1ccc(CCNCc2ccc(CN(CCNCc3ccccn3)CCNCc3ccccn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM2 P08172 1/20 0.44
LMNA P02545 1/20 0.43
KCNA5 P22460 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
MPO P05164 1/20 0.42
KCNH2 Q12809 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41

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
SCHEMBL4404341 0.94 KDM4E (0.50) KDM4EALDH1A1ALOX15L3MBTL1MEN1
SCHEMBL4413514 0.94 KDM4E (0.50) KDM4EALDH1A1ALOX15L3MBTL1MEN1
SCHEMBL14293672 0.93 KDM4E (0.52) KDM4EALDH1A1ALOX15LTA4HEPHX2
SCHEMBL4408017 0.89 KDM4E (0.74) KDM4EALDH1A1ALOX15MEN1KMT2A
SCHEMBL4409123 0.88 KDM4E (0.51) KDM4EALDH1A1ALOX15L3MBTL1MEN1
SCHEMBL4404505 0.88 CHRM2 (0.53) KDM4EALDH1A1ALOX15L3MBTL1MEN1
SCHEMBL4409089 0.86 CHRM2 (0.57) KDM4EALDH1A1ALOX15L3MBTL1MEN1
SCHEMBL4755697 0.84 KDM4E (0.44) KDM4EALOX15MEN1KMT2ACHRM2
SCHEMBL14293610 0.83 KDM4E (0.69) KDM4EALOX15MEN1KMT2AMPO
SCHEMBL4414847 0.83 KDM4E (0.42) KDM4EALOX15L3MBTL1MEN1KMT2A

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 12 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
US-20050043366-A1 Polyamine compounds for treating chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY (TW) 2005-02-24 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 (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 3882/4885ALDH1A1 1278/4885ALOX15 1087/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX KDM4E 1061/4885ALDH1A1 422/4885ALOX15 1349/4885

“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.