SCHEMBL3482463

SCHEMBL3482463

COc1cc2nc(CNCCCNC(=O)C3CCCO3)nc(NC(C)=O)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
ALDH1A1 P00352 10/20 0.55
HPGD P15428 9/20 0.55
KDM4E B2RXH2 9/20 0.55
HSD17B10 Q99714 7/20 0.55
GAA P10253 6/20 0.55
GLA P06280 6/20 0.55
SLC22A1 O15245 2/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
ACHE P22303 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
LMNA P02545 2/20 0.55
SLC6A2 P23975 1/20 0.55
DRD3 P35462 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 3/20 0.43

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
SCHEMBL3482799 0.92 KCNH2 (0.55) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2847409 0.87 KDM4E (0.69) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL707005 0.87 KDM4E (0.69) KCNH2ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL2851355 0.86 KDM4E (0.68) KCNH2ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL1690850 0.86 KDM4E (0.68) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3482471 0.83 KCNH2 (0.79) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL26109570 0.76 KDM4E (0.61) KCNH2ALDH1A1HPGDKDM4EHSD17B10
Water SCHEMBL28943973 0.75 KDM4E (0.60) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3482929 0.75 KCNH2 (0.77) KCNH2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14340963 0.74 KCNH2 (0.81) KCNH2ALDH1A1HPGDKDM4EHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100174073-A1 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-07-08 US claimed
EP-2152697-A2 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF Actavis Group PTC EHF (IS) 2010-02-17 EP claimed
WO-2008152514-A2 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2008-12-18 WO claimed
US-20100174073-A1 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-07-08 US disclosed
EP-2152697-A2 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF Actavis Group PTC EHF (IS) 2010-02-17 EP disclosed
WO-2008152514-A2 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF ACTAVIS GROUP PTC EHF (IS) 2008-12-18 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 (1 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-20100174073-A1 PROCESS FOR THE PREPARATION OF ALFUZOSIN AND SALTS THEREOF AADAC, PTMS, LPXN KCNH2 21/4885ALDH1A1 910/4885HPGD 744/4885

“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.