SCHEMBL5433792

SCHEMBL5433792

CN(C)CC1CCCN(C(=O)Cn2c(-c3cccnc3)c(C3CCCCC3)c3ccc(-c4noc(=O)[nH]4)cc32)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
XDH P47989 2/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CCKAR P32238 4/20 0.33
CCKBR P32239 4/20 0.33
HPGD P15428 1/20 0.32
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AGTR1 P30556 1/20 0.31
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL5434729 0.88 AVPR1B (0.35) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5439005 0.85 XDH (0.37) XDHCCKARCCKBRAGTR1
SCHEMBL5444176 0.80 GRIN2B (0.35) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5440567 0.80 AGTR1 (0.36) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5440041 0.79 SCN9A (0.36) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5432942 0.79 CCKAR (0.39) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5430255 0.78 GRIN2B (0.41) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5452208 0.78 CDYL (0.38) XDHCCKARCCKBRAGTR1
SCHEMBL5442594 0.77 ALDH1A1 (0.33) KCNH2XDHDPP4DPP7CCKAR
SCHEMBL5433300 0.77 CYP3A4 (0.38) XDHSCDSCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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 (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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT KCNH2 2111/4885XDH 12/4885DPP4 1241/4885

“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.