SCHEMBL7045259

SCHEMBL7045259

Nc1nc2c(Cl)c(Cl)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.60
MMP12 P39900 3/20 0.46
PTPN11 Q06124 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44

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
SCHEMBL17276081 0.81 NUDT1 (0.49) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL17276018 0.81 NUDT1 (0.49) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL17276017 0.81 NUDT1 (0.49) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL1625967 0.79 NPC1 (0.53) NUDT1PTPN11MEN1ALDH1A1KMT2A
SCHEMBL17276044 0.77 NUDT1 (0.45) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL215756 0.76 NUDT1 (0.70) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL8186337 0.76 RHEB (0.51) NUDT1MMP12PTPN11MEN1ALDH1A1
SCHEMBL3421747 0.76 HTT (0.52) NUDT1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL5738360 0.76 NPC1 (0.37) NUDT1MEN1ALDH1A1KMT2AKDM4E
SCHEMBL7044219 0.72 NUDT1 (0.36) NUDT1MEN1ALDH1A1KMT2AKDM4E

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 16 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-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
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
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 (3 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 NUDT1 45/4885MMP12 4351/4885PTPN11 4205/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B NUDT1 2826/4885MMP12 970/4885PTPN11 1716/4885
US-20010011075-A1 5'-SUBSTITUTED-RIBOFURANOSYL BENZIMIDAZOLES AS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, IFNAR1 NUDT1 45/4885MMP12 4351/4885PTPN11 4205/4885

“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.