SCHEMBL4409870

SCHEMBL4409870

Cc1ccc(C#N)c(N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 5/20 0.41
TRPA1 O75762 1/20 0.38
NSD2 O96028 1/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
BRD4 O60885 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL7821526 0.75 NOS2 (0.34) AAK1ALDH1A1CCNCCDK8BRD4
SCHEMBL3788632 0.74 AR (0.50) AAK1
SCHEMBL891297 0.74 CA1 (0.39) ALDH1A1CCNCCDK8BRD4CKS1B
SCHEMBL30597303 0.73 IDO1 (0.43) AAK1TRPA1NSD2ALDH1A1CKS1B
SCHEMBL26313798 0.73 IDO1 (0.43) AAK1TRPA1NSD2ALDH1A1CKS1B
SCHEMBL30597398 0.73 NOS2 (0.43) AAK1ALDH1A1CKS1BSKP1SKP2
SCHEMBL26313794 0.73 NOS2 (0.43) AAK1ALDH1A1CKS1BSKP1SKP2
SCHEMBL13171671 0.72 NSD2 (0.46) AAK1TRPA1NSD2MAPTTDP1
SCHEMBL15831835 0.71 PKM (0.40) ALDH1A1MAPTKDM4EGAA
SCHEMBL890852 0.70 BCHE (0.40) ALDH1A1CCNCCDK8BRD4MAPT

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 AAK1 3050/4885TRPA1 445/4885NSD2 4114/4885
US-20080058382-A1 POLYAMINE COMPOUNDS SRM, SMS, SMOX AAK1 3965/4885TRPA1 1929/4885NSD2 2360/4885

“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.