SCHEMBL4064484

SCHEMBL4064484

COC(=O)c1noc2c(OC)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 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
SCHEMBL4069291 0.74 MEN1 (0.36) MAPK1L3MBTL1MAPTKMT2AMEN1
SCHEMBL18824893 0.71 L3MBTL1 (0.46) MAPK1L3MBTL1MAPTNPSR1KDM4E
SCHEMBL28330381 0.71 L3MBTL1 (0.46) L3MBTL1NPSR1KDM4E
SCHEMBL21855440 0.70 IKBKB (0.46) MAPK1L3MBTL1MAPTNPSR1KDM4E
SCHEMBL22395426 0.70 L3MBTL1 (0.45) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL28330383 0.69 CA12 (0.50) MAPK1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL17362675 0.67 L3MBTL1 (0.42) MAPK1L3MBTL1MAPTHIF1ANPSR1
SCHEMBL312146 0.66 L3MBTL1 (0.60) L3MBTL1KMT2AMEN1KDM4ETP53
SCHEMBL31589851 0.66 NPSR1 (0.43) MAPK1L3MBTL1MAPTHIF1ANPSR1
SCHEMBL11434003 0.66 PSMD14 (0.56) MAPK1MAPTKMT2AMEN1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 EP disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 EP disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 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-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT MAPK1 4326/4885L3MBTL1 4731/4885MAPT 2614/4885

“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.