SCHEMBL2624111

SCHEMBL2624111

O=S(=O)(c1ccccc1)c1ccnc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.42
HTR2B P41595 2/20 0.39
MET P08581 1/20 0.39
GRM5 P41594 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
FFAR2 O15552 1/20 0.36

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
SCHEMBL6949262 0.72 NOS3 (0.49) HTR6HTR2BALDH1A1NPSR1KDM4E
SCHEMBL9848545 0.71 POLB (0.51) HTR6NPSR1HTTL3MBTL1
SCHEMBL28217559 0.69 GRM4 (0.47) ALDH1A1GRM4KDM4ETDP1KCNH2
SCHEMBL9166764 0.68 GRM4 (0.58) ALDH1A1GRM4KDM4EHTTL3MBTL1
SCHEMBL10911225 0.68 POLB (0.51) HTR6GRM5NPSR1HTTL3MBTL1
SCHEMBL1706536 0.66 METAP2 (0.44) HTR6HTR2BNPSR1
SCHEMBL15231552 0.65 MET (0.48) HTR6METALDH1A1NPSR1KDM4E
SCHEMBL8080841 0.64 HTR6 (0.72) HTR6ALDH1A1NPSR1KDM4EHTT
SCHEMBL795349 0.64 NOS3 (0.44) HTR2BGRM4KDM4E
SCHEMBL24283716 0.63 NOS3 (0.42) GRM4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 HTR6 4159/4885HTR2B 4499/4885MET 590/4885

“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.