SCHEMBL6609952

SCHEMBL6609952

CC(C)(C)OC(=O)C(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
NPC1 O15118 1/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD11B1 P28845 1/20 0.40
ALOX5 P09917 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3527114 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL550633 0.83 KMT2A (0.52) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL27798676 0.83 SLC6A3 (0.50) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL27652798 0.80 MAPT (0.54) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL8770261 0.79 HTR2A (0.45) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL2761732 0.79 SLC6A3 (0.48) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL11090216 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL6608478 0.79 ITGA4 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL2761873 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL27686943 0.78 SMN1; SMN2 (0.41) ALDH1A1MAPTLMNAKMT2AMEN1

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 ALDH1A1 824/4885KDM4E 3364/4885MAPT 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.