SCHEMBL10149465

SCHEMBL10149465

[N-]=[N+]=CC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.57
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
CTRB1 P17538 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.53
KLK7 P49862 1/20 0.53
KLK5 Q9Y337 1/20 0.53
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51

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
SCHEMBL29302758 1.00 PREP (0.57) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL27966167 0.97 PREP (0.53) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL8998498 0.87 PREP (0.58) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL8998434 0.87 PREP (0.58) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL19349903 0.85 PREP (0.61) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL9846339 0.84 PREP (0.61) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL29553 0.82 PREP (0.67) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL205223 0.82 PREP (0.67) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL475715 0.82 PREP (0.67) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL29658848 0.82 PREP (0.67) PREPTSHRL3MBTL1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES Merck Sharp & Dohmn Corp. (US) 2014-06-19 US disclosed
US-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2012-10-11 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 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 (4 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-20120258078-A1 ANTIVIRAL COMPOUNDS OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C HAVCR2, ZC3HAV1, EIF2AK2 PREP 727/4885TSHR 3704/4885L3MBTL1 2202/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 PREP 523/4885TSHR 3064/4885L3MBTL1 848/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S PREP 1777/4885TSHR 4559/4885L3MBTL1 105/4885
US-20140170111-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, ZC3HAV1L PREP 1899/4885TSHR 1617/4885L3MBTL1 2338/4885

“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.