SCHEMBL6098967

SCHEMBL6098967

COC(OC)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HIF1A Q16665 1/20 0.47
HTT P42858 2/20 0.44
TDP1 Q9NUW8 3/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSPB1 P04792 4/20 0.40
GAA P10253 2/20 0.40
S1PR4 O95977 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 2/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL12703668 0.81 ALDH1A1 (0.45) ALDH1A1HIF1AHTTTDP1TSHR
SCHEMBL13101021 0.81 ALDH1A1 (0.52) ALDH1A1HIF1ATDP1TSHRLMNA
SCHEMBL30309507 0.81 ALDH1A1 (0.52) ALDH1A1HIF1ATDP1TSHRLMNA
SCHEMBL15076678 0.79 ALDH1A1 (0.53) ALDH1A1HIF1ATDP1TSHRLMNA
SCHEMBL4405560 0.78 ALDH1A1 (0.52) ALDH1A1HIF1AHTTTDP1LMNA
SCHEMBL10777346 0.78 GAA (0.45) ALDH1A1HIF1AHTTTDP1TSHR
SCHEMBL27889278 0.78 ALDH1A1 (0.49) ALDH1A1HIF1ATDP1TSHRLMNA
SCHEMBL10348545 0.77 HTT (0.44) ALDH1A1HTTTDP1TSHRLMNA
SCHEMBL8416497 0.77 GPR35 (0.51) ALDH1A1HIF1AHTTTDP1TSHR
SCHEMBL25269818 0.76 ALDH1A1 (0.43) ALDH1A1HIF1AHTTTDP1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation GORDEEV MIKHAIL F (US) 2002-12-05 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 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-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L ALDH1A1 1371/4885HIF1A 3384/4885HTT 3776/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP ALDH1A1 1632/4885HIF1A 3231/4885HTT 4428/4885

“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.