SCHEMBL4281969

SCHEMBL4281969

CC(C)(N)C(=O)Nc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
RAB9A P51151 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CYP2C19 P33261 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTGS1 P23219 2/20 0.46
GFER P55789 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL8200423 0.92 L3MBTL1 (0.67) MAPTRAB9AL3MBTL1PKMLMNA
SCHEMBL1913557 0.86 L3MBTL1 (0.79) MAPTRAB9AL3MBTL1PKMLMNA
SCHEMBL20124849 0.84 MAPT (0.57) MAPTRAB9AL3MBTL1PKMLMNA
SCHEMBL17368411 0.84 KIF11 (0.58) MAPTRAB9AL3MBTL1TDP1POLB
SCHEMBL14466017 0.82 KIF11 (0.66) MAPTRAB9AL3MBTL1MEN1KMT2A
SCHEMBL28307531 0.82 ALDH1A1 (0.57) MAPTRAB9AL3MBTL1LMNAMEN1
SCHEMBL19853109 0.82 PDK1 (0.62) MAPTRAB9AL3MBTL1MEN1KMT2A
SCHEMBL2745516 0.82 PDK1 (0.59) MAPTRAB9AL3MBTL1LMNAMEN1
SCHEMBL2746235 0.81 L3MBTL1 (0.54) MAPTRAB9AL3MBTL1LMNAMEN1
SCHEMBL15962158 0.81 EPHX2 (0.57) RAB9AL3MBTL1PKMLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 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 (2 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 MAPT 2332/4885RAB9A 3802/4885L3MBTL1 2312/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 MAPT 2563/4885RAB9A 3144/4885L3MBTL1 2957/4885

“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.