SCHEMBL4404474

SCHEMBL4404474

CC(CNCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
TSHR P16473 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TP53 P04637 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.39
CHRM2 P08172 2/20 0.38
NPC1 O15118 2/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL4412232 0.87 KDM4E (0.51) MEN1KMT2ATSHRKDM4ETP53
SCHEMBL4406564 0.85 MEN1 (0.45) MEN1KMT2ATSHRKDM4ETP53
SCHEMBL4409123 0.84 KDM4E (0.51) MEN1KMT2ATSHRKDM4ETP53
SCHEMBL4404505 0.81 CHRM2 (0.53) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL14293604 0.81 KDM4E (0.50) MEN1KMT2ATSHRKDM4ETP53
SCHEMBL4409089 0.80 CHRM2 (0.57) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL4405060 0.80 KDM4E (0.53) MEN1KMT2AKDM4EPOLB
SCHEMBL4408353 0.79 PRMT1 (0.52) TSHRALDH1A1POLBL3MBTL1GAA
SCHEMBL4414892 0.78 SMARCA2 (0.56) MEN1KMT2AKDM4ETP53ALDH1A1
SCHEMBL13921869 0.77 TSHR (0.42) MEN1KMT2ATSHRKDM4ETP53

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 MEN1 2115/4885KMT2A 2409/4885TSHR 667/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX MEN1 762/4885KMT2A 1163/4885TSHR 2167/4885

“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.