SCHEMBL2584080

SCHEMBL2584080

COc1cc(C(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
HTT P42858 2/20 0.61
HCRTR1 O43613 1/20 0.61
HCRTR2 O43614 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KDM4E B2RXH2 2/20 0.58
BCHE P06276 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
LMNA P02545 3/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
ALOX15 P16050 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52

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 0.90 TSHR (0.61) TSHRHTTHCRTR1HCRTR2NPSR1
SCHEMBL2582378 0.86 KDM4E (0.61) TSHRHTTHCRTR1HCRTR2NPSR1
SCHEMBL1386316 0.81 BCHE (0.68) TSHRKDM4EBCHESMN1; SMN2TP53
SCHEMBL1385703 0.81 TSHR (0.68) TSHRKDM4EBCHESMN1; SMN2TP53
SCHEMBL1387066 0.80 KDM4E (0.80) TSHRHTTKDM4ELMNAMAPT
SCHEMBL1387031 0.78 KDM4E (0.74) TSHRHTTKDM4ESMN1; SMN2TP53
SCHEMBL11890502 0.78 KDM4E (0.73) TSHRKDM4EBCHESMN1; SMN2TP53
SCHEMBL2579670 0.77 KDM4E (0.66) TSHRKDM4EBCHETP53MAPT
SCHEMBL1906791 0.77 BCHE (0.77) TSHRHTTHCRTR1HCRTR2NPSR1
SCHEMBL2581813 0.77 KDM4E (0.68) TSHRKDM4EBCHESMN1; SMN2TP53

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 TSHR 1025/4885HTT 4605/4885HCRTR1 1069/4885

“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.