SCHEMBL2582378

SCHEMBL2582378

COc1cc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
BCHE P06276 4/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 3/20 0.60
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LMNA P02545 2/20 0.58
KMT2A Q03164 1/20 0.58
ALOX15 P16050 1/20 0.56
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56

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
SCHEMBL1384473 0.88 TSHR (0.61) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL2584080 0.86 TSHR (0.61) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL1386316 0.86 BCHE (0.68) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL1385703 0.85 TSHR (0.68) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL11890502 0.84 KDM4E (0.73) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL1387066 0.82 KDM4E (0.80) KDM4ETSHRHTTLMNA
SCHEMBL2579670 0.81 KDM4E (0.66) KDM4EBCHETP53TSHR
SCHEMBL1386481 0.81 KDM4E (0.71) KDM4EBCHETP53SMN1; SMN2TSHR
SCHEMBL1387031 0.81 KDM4E (0.74) KDM4ETP53SMN1; SMN2TSHRHTT
SCHEMBL1385523 0.81 KDM4E (0.71) KDM4EBCHETP53SMN1; SMN2TSHR

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 KDM4E 1039/4885BCHE 3544/4885TP53 2835/4885

“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.