SCHEMBL5437448

SCHEMBL5437448

N#Cc1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
ALK Q9UM73 8/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
BCHE P06276 1/20 0.36
KDR P35968 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
SCHEMBL803700 0.81 NPC1 (0.48) HTR2AHTR2CKCNH2
SCHEMBL5445902 0.79 HTR2A (0.54) DRD2HTR2AHTR2CKCNH2
SCHEMBL50743 0.74 PARP1 (0.46)
SCHEMBL13286195 0.73 KIF11 (0.41)
SCHEMBL18661421 0.73 CHEK2 (0.42)
SCHEMBL27770205 0.72 HTR2A (0.32) HTR2AHTR2CKCNH2
SCHEMBL13210438 0.72 HTR2A (0.32) DRD2HTR2AHTR2CKCNH2
SCHEMBL13965805 0.71 CCNA2 (0.36)
SCHEMBL27711877 0.71 KDM4E (0.44) PTGDR2
SCHEMBL12596857 0.70 DRD2 (0.35) SLC6A4DRD2DRD3PTGDR2NOS3

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-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
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT SLC6A4 385/4885DRD2 875/4885DRD3 566/4885

“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.