SCHEMBL6345336

SCHEMBL6345336

O=C(Nc1ccc(N2CC3C(COC4CCCCO4)C3C2)c(F)c1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 3/20 0.38
BCHE P06276 1/20 0.38
SCD O00767 1/20 0.38
RORC P51449 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PRKDC P78527 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EP300 Q09472 1/20 0.37
CREBBP Q92793 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL6337577 1.00 MAPT (0.41) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL6709204 0.90 EP300 (0.40) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL6335708 0.90 EP300 (0.40) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL6712840 0.87 MGAT2 (0.42) ALDH1A1MGLLBCHEKDM1AMAOA
SCHEMBL6709824 0.84 MGAT2 (0.37) NPC1RAB9AMGLLBCHEEP300
SCHEMBL6711214 0.84 MGAT2 (0.37) NPC1RAB9AMGLLBCHEEP300
SCHEMBL6338415 0.83 MAPT (0.45) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL7836782 0.80 CREBBP (0.41) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL20296254 0.78 MAPT (0.50) MAPTNPC1ALDH1A1TP53TSHR
SCHEMBL6477875 0.77 RORC (0.46) MAPTNPC1ALDH1A1TP53TSHR

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 MAPT 4217/4885NPC1 1715/4885ALDH1A1 708/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR MAPT 4148/4885NPC1 1740/4885ALDH1A1 741/4885

“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.