SCHEMBL7045409

SCHEMBL7045409

CC(C)Nc1nc2ccc(Cl)c(Cl)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
HTT P42858 2/20 0.34
MCHR1 Q99705 1/20 0.33
GAA P10253 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GLP1R P43220 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
TTR P02766 1/20 0.31
NR4A2 P43354 1/20 0.31
HPGD P15428 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6516334 0.72 CYP1A2 (0.47) ALDH1A1HTTGAAHCAR1HPGD
SCHEMBL3421751 0.72 ALDH1A1 (0.47) KDM4EALDH1A1CSNK2A1HTTGAA
SCHEMBL1625968 0.71 HCAR1 (0.33) CSNK2A2CSNK2BCSNK2A1HCAR1
SCHEMBL439758 0.70 GAA (0.49) KDM4EALDH1A1HTTMCHR1GAA
SCHEMBL7045265 0.68 HTR3E (0.47) ALDH1A1TDP1HCAR1
SCHEMBL7044222 0.68 HCAR1 (0.33) HCAR1
SCHEMBL7208967 0.68 ADORA1 (0.52) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL11989038 0.66 ALDH1A1 (0.61) KDM4EALDH1A1HTTGAATDP1
SCHEMBL7734462 0.66 AR (0.40) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL7113015 0.65 EGLN1 (0.39) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1

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
CN-1272113-A Lyxofuranosyl benzimidazoles as antiviral agents UNIV MICHIGAN (US) 2000-11-01 CN disclosed
EP-1000080-A1 LYXOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS The Regents of The University of Michigan (US) 2000-05-17 EP 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 KDM4E 836/4885ALDH1A1 506/4885CSNK2A2 2060/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 KDM4E 836/4885ALDH1A1 506/4885CSNK2A2 2060/4885

“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.