SCHEMBL5447286

SCHEMBL5447286

COC(=O)c1ccc2c(C3CCCCC3)cn(CC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK1A Q13627 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CNR2 P34972 6/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CFD P00746 1/20 0.34
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
CCKBR P32239 1/20 0.33
HTR4 Q13639 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33

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
SCHEMBL771788 0.81 NPC1 (0.39) POLBKMT2ACNR2MAPTRXFP1
SCHEMBL5442593 0.80 CDK5 (0.36) POLBKMT2ATDP1DYRK1ACDK5
SCHEMBL5447291 0.77 ALDH1A1 (0.43) MAPT
SCHEMBL5442276 0.77 MAPK8 (0.37) KMT2ADYRK1ACDK5CDK5R1MAPT
SCHEMBL804189 0.75 POLB (0.40) POLBCNR2CNR1MAPTCFD
SCHEMBL792773 0.75 PTGDR (0.36) POLBCNR2CNR1MAPTRXFP1
SCHEMBL792776 0.71 JAK2 (0.38) POLBKMT2ATDP1MAPT
SCHEMBL4608770 0.70 ALDH1A1 (0.33) MAPTCCKBRRXFP1
SCHEMBL12597538 0.70 CYP1A2 (0.42) POLBKMT2ACNR2RXFP1
SCHEMBL14606916 0.69 CNR1 (0.40) KMT2ACNR2CNR1

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 1 patent. 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

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 POLB 2000/4885KMT2A 1213/4885TDP1 3252/4885

“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.