SCHEMBL2583244

SCHEMBL2583244

CN(C)c1nonc1-c1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.58
GUSB P08236 1/20 0.58
CXCR3 P49682 1/20 0.56
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.50
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCHE P06276 3/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1385523 0.85 KDM4E (0.71) CTSDGUSBKDM4ETSHRBCHE
SCHEMBL2575692 0.84 CTSD (0.58) CTSDGUSBCXCR3KDM4ETSHR
SCHEMBL2581454 0.82 KDM4E (0.69) CTSDGUSBCXCR3POLBKDM4E
SCHEMBL11302845 0.80 CTSD (0.47) CTSDGUSBCXCR3POLBKDM4E
SCHEMBL5037413 0.79 KDM4E (0.62) KDM4ETSHRBCHEALDH1A1MAPT
SCHEMBL2582149 0.78 TSHR (0.57) CTSDGUSBCXCR3POLBKDM4E
SCHEMBL2578815 0.78 CTSD (0.51) CTSDGUSBCXCR3KDM4ETSHR
SCHEMBL1384956 0.77 ALDH1A1 (0.56) CTSDGUSBCXCR3KDM4ETSHR
SCHEMBL11890502 0.76 KDM4E (0.73) KDM4ETSHRBCHEMAPTTP53
SCHEMBL1387066 0.76 KDM4E (0.80) KDM4ETSHRALDH1A1LMNAMAPT

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-RE42890-E1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG (CH) 2011-11-01 US disclosed
US-7385061-B2 4-[1-(6-amino-3-pyridylcarbonylmethyl)-1H-benzimidazol-2-yl]-furazan-3-yl]-N-(2-cyanoethyl)-amine; treatment of neoplastic and autoimmune diseases BASILEA PHARMACEUTICA AG (CH) 2008-06-10 US disclosed
EP-1636215-B1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2008-01-23 EP disclosed
US-20070043061-A1 Furazanobenzimidazoles BASILEA PHARMACEUTICA AG 2007-02-22 US disclosed
EP-1636215-A1 FURAZANOBENZIMIDAZOLES Basilea Pharmaceutica AG (CH) 2006-03-22 EP disclosed
WO-2004103994-A1 FURAZANOBENZIMIDAZOLES BASILEA PHARMACEUTICA AG (CH) 2004-12-02 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-20070043061-A1 Furazanobenzimidazoles FOXO1, CYP2F1, OXER1 CTSD 4618/4885GUSB 4632/4885CXCR3 1161/4885

“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.