SCHEMBL7044501

SCHEMBL7044501

Clc1cc(Cl)c2nc(Br)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CBFB Q13951 1/20 0.47
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
EGLN1 Q9GZT9 2/20 0.41
PRKCZ Q05513 1/20 0.39
F10 P00742 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7045019 0.79 HTT (0.66) HTTCBFBADORA3ADORA1HRH4
SCHEMBL9505753 0.76 HTT (1.00) HTTCBFBADORA3ADORA1HRH4
SCHEMBL8872820 0.76 HTT (0.61) HTTCBFBADORA3ADORA1HRH4
SCHEMBL7044417 0.76 RHEB (0.51) HTTEGLN1ALDH1A1KDM4EGAA
SCHEMBL5924441 0.76 HTT (0.61) HTTCBFBADORA3ADORA1HRH4
SCHEMBL7742250 0.74 EGLN1 (0.47) HTTEGLN1ALDH1A1KDM4EGAA
SCHEMBL5769956 0.73 HTT (0.58) HTTCBFBADORA3ADORA1HRH4
SCHEMBL31534795 0.72 PSMB8 (0.56) HTTADORA3ADORA1EGLN1ALDH1A1
SCHEMBL8183601 0.72 HTT (0.56) HTTCBFBADORA3ADORA1HRH4
SCHEMBL10248414 0.72 HTT (0.61) HTTCBFBADORA3ADORA1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845001-B1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-11-13 EP claimed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 US claimed
US-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents TOWNSEND LEROY B (US) 2003-06-26 US disclosed
EP-0845001-B1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS UNIV MICHIGAN (US) 2002-11-13 EP disclosed
US-6455506-B1 Lyxofuranosyl benzimidazoles as antiviral agents SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS TOWNSEND LEROY B (US) 2001-08-02 US disclosed
EP-1000080-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 2000-05-17 EP disclosed
WO-1999051619-A1 ARABINOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-10-14 WO disclosed
US-5874413-A CYTOMEGALO VIRUS UNIVERSITY OF MICHIGAN (US) 1999-02-23 US disclosed
WO-1999006424-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-02-11 WO disclosed
EP-0845001-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 1998-06-03 EP disclosed
WO-1997007125-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1997-02-27 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 (2 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-20030119762-A1 5'-substituted-ribofuranosyl benzimidazoles as antiviral agents ZC3HAV1, ZC3HAV1L, IFNAR1 HTT 2869/4885CBFB 512/4885ADORA3 250/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 HTT 2869/4885CBFB 512/4885ADORA3 250/4885

“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.