SCHEMBL6607070

SCHEMBL6607070

CC(C)(C)OC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MAPT P10636 7/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HTT P42858 3/20 0.39
THRB P10828 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GALR3 O60755 1/20 0.38
NR1D1 P20393 2/20 0.37
MAPK1 P28482 3/20 0.37
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MIF P14174 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL17391196 0.83 PDGFRB (0.43) MAPTALDH1A1LMNAL3MBTL1HTT
SCHEMBL6609945 0.82 MTNR1A (0.49) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL23783023 0.79 MAPT (0.55) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL17827840 0.79 ALDH1A1 (0.47) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL1151448 0.77 MTNR1A (0.43) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL6607355 0.76 CYP1A2 (0.51) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL22443178 0.75 PDGFRB (0.45) MAPTALDH1A1LMNAL3MBTL1HTT
SCHEMBL5960603 0.74 ROCK2 (0.45) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL8770253 0.74 S1PR4 (0.49) MAPTALDH1A1LMNAL3MBTL1HTT
SCHEMBL21418226 0.74 S1PR4 (0.34) MTNR1AMTNR1BMAPTALDH1A1LMNA

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
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.