SCHEMBL6346347

SCHEMBL6346347

O=C1c2ccccc2C(=O)N1OCc1nnn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.35
VDR P11473 2/20 0.35
F2 P00734 1/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL9365852 0.76 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL21067858 0.74 TSHR (0.56) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL29459464 0.74 TSHR (0.56) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL22833529 0.73 KMT2A (0.48) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL8819539 0.73 TSHR (0.58) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4279649 0.73 MEN1 (0.48) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL22833263 0.72 MEN1 (0.44) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL13545621 0.70 GAA (0.69) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL6524461 0.70 KMT2A (0.74) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL29367470 0.70 KMT2A (0.74) KMT2AMEN1MAPTGAAALDH1A1

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
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
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
US-20030125367-A1 Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. 2003-07-03 US disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 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 (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 KMT2A 4216/4885MEN1 4110/4885MAPT 4217/4885
US-20050203144-A1 Bicyclo[3.1.0]hexane containing oxazolidinone antibiotics and derivatives thereof NR0B1, NR4A1, VDR KMT2A 3896/4885MEN1 3798/4885MAPT 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.