SCHEMBL10189349

SCHEMBL10189349

CC(C)(C)OC(=O)N1CCNN(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.45
THRB P10828 1/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SLC6A5 Q9Y345 3/20 0.42
GPR119 Q8TDV5 2/20 0.42
SLC6A9 P48067 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DPP4 P27487 1/20 0.41
GPR174 Q9BXC1 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
SCHEMBL994347 0.86 ALDH1A1 (0.68) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL29536266 0.86 ALDH1A1 (0.68) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL10189346 0.85 MAPT (0.60) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL13101506 0.83 MAPT (0.70) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL31639893 0.82 ALDH1A1 (0.63) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL6495866 0.82 ALDH1A1 (0.63) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL27178872 0.81 ALDH1A1 (0.56) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL28692485 0.80 ALDH1A1 (0.54) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL27178641 0.79 MAPT (0.68) MAPTALDH1A1LMNAPOLBTHRB
SCHEMBL10035920 0.79 ALDH1A1 (0.56) MAPTALDH1A1LMNAPOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009012-B1 NOVEL COMPOUND HAVING HETEROCYCLIC RING RES FOUND ITSUU LAB (JP) 2014-06-25 EP disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
EP-2233484-A2 Oxazolidinone derivatives having a 7-membered heterocyclic ring Research Foundation Itsuu Laboratory (JP) 2010-09-29 EP disclosed
EP-2208729-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation Itsuu Laboratory (JP) 2010-07-21 EP disclosed
EP-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
EP-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 EP 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 (3 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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 MAPT 4745/4885ALDH1A1 3053/4885LMNA 4493/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 MAPT 4600/4885ALDH1A1 317/4885LMNA 3275/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 MAPT 4696/4885ALDH1A1 2721/4885LMNA 4337/4885

“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.