SCHEMBL508892

SCHEMBL508892

CCCCCOC(=O)Nc1nc(-c2ccccc2)c(Br)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
XDH P47989 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42

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
SCHEMBL13377867 0.88 CYP1A2 (0.48) CYP1A2CYP2C19CYP2C9CYP3A4MEN1
SCHEMBL10135695 0.74 ALDH1A1 (0.52) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL11660787 0.73 SMN1; SMN2 (0.46) CYP1A2CYP2C19CYP3A4SMN1; SMN2NPC1
SCHEMBL11801720 0.73 SPHK2 (0.68) CYP1A2CYP2C19CYP3A4TUBB4ATUBB
SCHEMBL11865449 0.70 NPC1 (0.65) CYP1A2CYP2C19CYP3A4MEN1KMT2A
SCHEMBL8600999 0.69 RAB9A (0.67) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL4036846 0.69 GAA (0.52) KMT2AALDH1A1LMNAGAATSHR
SCHEMBL10599124 0.68 RAB9A (0.65) CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1
SCHEMBL8600460 0.68 RAB9A (0.65) CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1
SCHEMBL7995030 0.68 RAB9A (0.65) CYP1A2CYP2C19CYP2C9SMN1; SMN2NPC1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-8034802-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2011-10-11 US disclosed
US-7858637-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus AVERETT DEVRON R 2010-12-28 US disclosed
EP-1667694-B1 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS INC (US) 2010-04-28 EP disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
US-7576068-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2009-08-18 US disclosed
EP-1667694-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C Anadys Pharmaceuticals, Inc. (US) 2006-06-14 EP disclosed
WO-2005025583-A2 TLR7 LIGANDS FOR THE TREATMENT OF HEPATITIS C ANADYS PHARMACEUTICALS, INC. (US) 2005-03-24 WO disclosed
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. 2005-03-10 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 (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-20090298863-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 CYP1A2 492/4885CYP2C19 708/4885CYP2C9 657/4885
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 CYP1A2 492/4885CYP2C19 708/4885CYP2C9 657/4885
US-20050054590-A1 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus TLR7, TLR3, TLR9 CYP1A2 492/4885CYP2C19 708/4885CYP2C9 657/4885

“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.