SCHEMBL6337155

SCHEMBL6337155

O=[N+]([O-])c1ccc(N2CC3C(O)C3C2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
POLB P06746 2/20 0.48
DPP4 P27487 1/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC6A5 Q9Y345 3/20 0.42
HTT P42858 1/20 0.42
SLC6A9 P48067 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6337151 1.00 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7812642 0.88 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7805673 0.88 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7812644 0.88 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29106898 0.84 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL14480135 0.83 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6211272 0.82 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL6478813 0.81 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL854197 0.81 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL7805532 0.81 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB

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 708/4885KMT2A 4216/4885LMNA 3824/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR ALDH1A1 741/4885KMT2A 3896/4885LMNA 3317/4885

“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.