SCHEMBL5110006

SCHEMBL5110006

OC[C@@H]1OC(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.70
SLC29A1 Q99808 2/20 0.47
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 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
SCHEMBL3549857 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7632989 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7633291 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7632995 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7639766 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL5110015 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL3549859 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL5110010 1.00 HDAC6 (0.70) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7801038 0.96 HDAC6 (0.71) HDAC6SLC29A1ADORA2AADORA2BADORA3
SCHEMBL7801036 0.96 HDAC6 (0.71) HDAC6SLC29A1ADORA2AADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375235-B2 Process for preparing substituted benzimidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 US disclosed
US-20050261211-A1 Process for preparing substituted benzimidazole compounds GLAXOSMITHKLINE LLC 2005-11-24 US 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-20050261211-A1 Process for preparing substituted benzimidazole compounds EIF2AK2, SAMHD1, ZC3HAV1 HDAC6 1062/4885SLC29A1 1794/4885ADORA2A 3458/4885

“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.