SCHEMBL6339013

SCHEMBL6339013

Nc1ccc(N2C[C@@H]3[C@@H](COC4CCCCO4)[C@@H]3C2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
USP30 Q70CQ3 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6339016 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6335863 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2A
SCHEMBL6335861 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2A
SCHEMBL6335774 0.76 MAPT (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6335775 0.76 MAPT (0.43) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL6337577 0.75 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6345336 0.75 MAPT (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6337218 0.72 L3MBTL1 (0.31) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6337217 0.72 L3MBTL1 (0.31) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12126893 0.68 MAOB (0.60) LMNA

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-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-09-15 US disclosed
EP-1385834-B1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO INC (US) 2005-09-14 EP disclosed
US-6897230-B2 Bicyclo[3/1/0] hexane containing oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-24 US disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 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-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof NR4A1, NR0B1, NR1D1 ALDH1A1 708/4885LMNA 3824/4885MAPT 4217/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR ALDH1A1 741/4885LMNA 3317/4885MAPT 4148/4885

“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.