SCHEMBL5439005

SCHEMBL5439005

CN(C)C(=O)Cn1c(-c2cccnc2)c(C2CCCCC2)c2ccc(-c3noc(=O)[nH]3)cc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.37
TSPO P30536 1/20 0.37
CCKAR P32238 4/20 0.36
CCKBR P32239 4/20 0.36
AGTR1 P30556 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35

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
SCHEMBL5438859 0.91 CCKAR (0.40) XDHCCKARCCKBRAGTR1
SCHEMBL5437190 0.88 XDH (0.38) XDHAGTR1
SCHEMBL5438589 0.87 CCKAR (0.39) XDHCCKARCCKBRAGTR1
SCHEMBL5445861 0.87 XDH (0.38) XDHCCKARCCKBRAGTR1
SCHEMBL5434720 0.87 CYP3A4 (0.41) XDH
SCHEMBL5439377 0.87 AGTR1 (0.40) CCKARCCKBRAGTR1
SCHEMBL5433740 0.86 GRIN1 (0.41) XDHTSPOAGTR1
SCHEMBL5434679 0.86 SCN9A (0.41) XDHCCKARCCKBRAGTR1
SCHEMBL5433792 0.85 KCNH2 (0.35) XDHCCKARCCKBRAGTR1
SCHEMBL5438852 0.85 AVPR1B (0.38) CCKARCCKBRAGTR1

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 XDH 12/4885TSPO 4822/4885CCKAR 2429/4885

“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.