SCHEMBL4410037

SCHEMBL4410037

N#Cc1ccc(C(N)(CCN)CCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
LOXL2 Q9Y4K0 2/20 0.47
CYP2A6 P11509 2/20 0.38
CA2 P00918 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
EPHX2 P34913 1/20 0.36
CA1 P00915 1/20 0.36
PTPN5 P54829 1/20 0.35
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
IDO1 P14902 2/20 0.34
CYP19A1 P11511 3/20 0.34

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
SCHEMBL4406265 0.82 KIF11 (0.36) KIF11
SCHEMBL541668 0.78 KIF11 (0.48) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL17423807 0.77 LOXL2 (0.52) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL28485102 0.72 KIF11 (0.52) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL156260 0.70 KIF11 (0.59) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL5838778 0.68 KIF11 (0.62) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL7777613 0.67 TAAR1 (0.72) KIF11LOXL2CYP19A1
SCHEMBL7025554 0.67 KIF11 (0.55) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL8479151 0.67 KIF11 (0.55) KIF11LOXL2CYP2A6CA2ALDH1A1
SCHEMBL7025558 0.67 KIF11 (0.55) KIF11LOXL2CYP2A6CA2ALDH1A1

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 9 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-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
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 KIF11 3385/4885LOXL2 1842/4885CYP2A6 4607/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX KIF11 4108/4885LOXL2 2950/4885CYP2A6 4734/4885

“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.