SCHEMBL2706235

SCHEMBL2706235

CC(C)c1ccc2c(c1)CCc1[nH]c(C(C)C)nc1-2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.34
NPY5R Q15761 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MIF P14174 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA2B P29275 1/20 0.31
PSMB5 P28074 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
EIF4A3 P38919 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
SCHEMBL13464938 0.86 NPY5R (0.39) KDM4ELMNANPY5RHSD17B10HPGD
SCHEMBL18463011 0.86 LMNA (0.34) LMNANPY5RNPSR1MIFSCN10A
SCHEMBL21334121 0.83 NPY5R (0.32) KDM4ENPY5RPSMB5
SCHEMBL2707318 0.77 KDM4E (0.35) KDM4ELMNANPSR1MIFSCN10A
SCHEMBL10118795 0.76 SCN10A (0.32) KDM4ELMNANPSR1SCN10AHSD17B10
SCHEMBL2705602 0.75 KDM4E (0.33) KDM4ELMNASCN10AHSD17B10
SCHEMBL20055113 0.74 LMNA (0.52) KDM4ELMNANPSR1MIFHSD17B10
SCHEMBL10118798 0.72 KDM4E (0.36) KDM4ELMNANPSR1SCN10AHSD17B10
SCHEMBL10118796 0.72 PSMB5 (0.36) KDM4ELMNANPSR1SCN10AHSD17B10
SCHEMBL15042891 0.72 LMNA (0.37) KDM4ELMNANPSR1MIFHSD17B10

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-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (5 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885NPY5R 4861/4885
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1173/4885LMNA 2809/4885NPY5R 4391/4885
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 KDM4E 2635/4885LMNA 1245/4885NPY5R 3824/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885LMNA 705/4885NPY5R 4666/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885NPY5R 4861/4885

“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.