SCHEMBL7807802

SCHEMBL7807802

OC[C@H]1O[C@@H](n2c(NC3CCCC3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.71
ADORA2A P29274 3/20 0.50
ADORA2B P29275 3/20 0.50
SLC29A1 Q99808 2/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA1 P30542 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL7807797 1.00 HDAC6 (0.71) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7801066 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL8588244 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL8588240 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7801064 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7812627 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7812631 0.99 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7801036 0.98 HDAC6 (0.71) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7801038 0.98 HDAC6 (0.71) HDAC6ADORA2AADORA2BSLC29A1ADORA3
SCHEMBL7639766 0.96 HDAC6 (0.70) HDAC6ADORA2AADORA2BSLC29A1ADORA3

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-6307043-B1 FOR TREATMENT OR PROPHYLAXIS OF HERPES VIRAL INFECTIONS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-20010003744-A1 Therapeutic compounds CHAMBERLAIN STANLEY DAWES (US) 2001-06-14 US disclosed
US-6077832-A FOR THERAPY AND PROPHYLAXIS OF HERPES VIRUS INFECTION GLAXO WELLCOME INC. (US) 2000-06-20 US disclosed
EP-0769017-B1 THERAPEUTIC COMPOUNDS WELLCOME FOUND (GB) 2000-05-24 EP disclosed
US-5998605-A Antiviral benzimidazole nucleoside analogues and method for their preparation GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
WO-1996001833-A1 THERAPEUTIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-01-25 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-20010003744-A1 Therapeutic compounds ZC3HAV1, HAVCR2, EIF2AK2 HDAC6 78/4885ADORA2A 1710/4885ADORA2B 1288/4885

“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.