SCHEMBL6609945

SCHEMBL6609945

CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
THRB P10828 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
LMNA P02545 5/20 0.42
MAPK1 P28482 3/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NR1D1 P20393 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX5 P09917 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL17827840 0.89 ALDH1A1 (0.47) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL29592846 0.86 BCL9 (0.44) MTNR1AMTNR1BMAPTALDH1A1GAA
SCHEMBL6761974 0.85 CYP1A2 (0.62) MAPTALDH1A1L3MBTL1GAAHTT
SCHEMBL6597479 0.85 CYP1A2 (0.47) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL28881348 0.84 RAB9A (0.45) MAPTALDH1A1GAAHTTCYP1A2
SCHEMBL12726296 0.82 MAPT (0.49) MAPTALDH1A1GAAHTTCYP1A2
SCHEMBL6607070 0.82 MTNR1A (0.43) MTNR1AMTNR1BMAPTALDH1A1L3MBTL1
SCHEMBL30182750 0.81 ALDH1A1 (0.42) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL31455922 0.81 MAPT (0.45) MAPTALDH1A1L3MBTL1THRBGAA
SCHEMBL13172664 0.81 MAPT (0.45) MAPTALDH1A1L3MBTL1THRBGAA

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
CN-100482660-C Flouroquinolone-oxazolidone derivative, composition, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY (CN) 2009-04-29 CN disclosed
CN-101054374-A Flouroquinolone-oxazolidone derivative, composition, preparation method and application thereof SHANGHAI INST PHARM INDUSTRY (CN) 2007-10-17 CN disclosed
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 MTNR1A 4411/4885MTNR1B 4096/4885MAPT 3655/4885

“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.