SCHEMBL15940561

SCHEMBL15940561

CCOC=Cc1ccc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.42
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PTGER4 P35408 1/20 0.30
KMT2A Q03164 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
SCHEMBL30492970 1.00 NFE2L2 (0.42) NFE2L2CRHBPCRHR2KDM4EALDH1A1
SCHEMBL30492967 1.00 NFE2L2 (0.42) NFE2L2CRHBPCRHR2KDM4EALDH1A1
SCHEMBL15940560 1.00 NFE2L2 (0.42) NFE2L2CRHBPCRHR2KDM4EALDH1A1
SCHEMBL20602058 0.85 ALDH1A1 (0.32) NFE2L2KDM4EALDH1A1MAPTHTT
SCHEMBL15940699 0.85 NFE2L2 (0.30) NFE2L2KDM4EALDH1A1MAPTHTT
SCHEMBL15940698 0.85 NFE2L2 (0.30) NFE2L2KDM4EALDH1A1MAPTHTT
SCHEMBL845895 0.80 NFE2L2 (0.48) NFE2L2CRHBPCRHR2KDM4EALDH1A1
SCHEMBL845894 0.80 NFE2L2 (0.48) NFE2L2CRHBPCRHR2KDM4EALDH1A1
SCHEMBL20477221 0.76 L3MBTL1 (0.37) KDM4EALDH1A1MAPTKMT2A
SCHEMBL20602580 0.75 NFE2L2 (0.45) NFE2L2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
US-9243002-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150361101-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2015-12-17 US disclosed
EP-2953456-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
WO-2014121416-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014123793-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 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 (1 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-20150361101-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 NFE2L2 843/4885CRHBP 3409/4885CRHR2 4283/4885

“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.