SCHEMBL1280127

SCHEMBL1280127

N#Cc1cccc2oc(Cl)nc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.37
PSMB5 P28074 2/20 0.37
HTT P42858 2/20 0.35
GPR35 Q9HC97 1/20 0.35
CYP2A6 P11509 1/20 0.34
FBP1 P09467 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PTGES O14684 1/20 0.32
JAK2 O60674 1/20 0.32
TBXAS1 P24557 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL31119206 0.80 PSMB8 (0.38) PSMB8HTTCYP2A6CA1CA2
SCHEMBL18400300 0.79 SMN1; SMN2 (0.37) HTTALDH1A1MAPT
SCHEMBL12778286 0.79 PSMB8 (0.37) PSMB8PSMB5HTTCYP2A6CA1
SCHEMBL31109647 0.79 ELANE (0.41) PSMB8HTTCYP2A6CA1CA2
SCHEMBL1281032 0.79 PSMB8 (0.37) PSMB8PSMB5HTTCYP2A6CA1
SCHEMBL3954797 0.75 PSMB8 (0.37) PSMB8PSMB5HTTCYP2A6ALDH1A1
SCHEMBL14327805 0.75 MAPT (0.38) PSMB8HTTCYP2A6CA1CA2
SCHEMBL2794791 0.75 PSMB8 (0.34) PSMB8HTTCYP2A6CA1CA2
SCHEMBL11044200 0.73 SMN1; SMN2 (0.34)
SCHEMBL3829608 0.72 PSMD14 (0.39)

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-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
US-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20130267494-A1 1,4-OXAZEPANE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-10 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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-20130267494-A1 1,4-OXAZEPANE DERIVATIVES MAOB, SLC6A4, SLC6A2 PSMB8 2627/4885PSMB5 1542/4885HTT 1743/4885
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CPS1 PSMB8 1878/4885PSMB5 921/4885HTT 3659/4885
US-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA PSMB8 1690/4885PSMB5 1321/4885HTT 244/4885

“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.