SCHEMBL13101048

SCHEMBL13101048

CC(C)C(=O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.51
HTT P42858 4/20 0.51
GAA P10253 3/20 0.50
MITF O75030 2/20 0.50
NPC1 O15118 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GLA P06280 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL6734715 0.79 MAPT (0.60) LMNAHTTGAAMITFNPC1
SCHEMBL11407927 0.79 LMNA (0.56) LMNAHTTGAAMITFNPC1
SCHEMBL15336410 0.78 KMT2A (0.62) LMNAHTTGAAMITFNPC1
SCHEMBL16522849 0.78 KDM4E (0.40) LMNAHTTGAANPC1NFKB1
SCHEMBL13101054 0.78 LMNA (0.63) LMNAHTTGAAMITFNPC1
5-Nitro-2-Furoic Acid SCHEMBL1221377 0.77 LMNA (0.58) LMNAHTTGAAMITFNPC1
SCHEMBL11455980 0.76 LMNA (0.56) LMNAHTTGAAMITFNPC1
SCHEMBL13753485 0.76 KMT2A (0.60) LMNAHTTGAAMITFNPC1
Metofurone SCHEMBL687311 0.76 RAB9A (0.54) LMNAHTTGAAMITFNPC1
SCHEMBL13101455 0.76 LMNA (0.63) LMNAHTTGAAMITFNPC1

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
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 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-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-01-28 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 LMNA 4386/4885HTT 4445/4885GAA 4203/4885
US-20100022637-A1 IDENTIFICATION OF ANTI-CANCER COMPOUNDS AND COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE AND METHODS OF TREATMENT THEREOF HTT, ATXN2, HDAC6 LMNA 2240/4885HTT 1/4885GAA 805/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 LMNA 4337/4885HTT 4429/4885GAA 4735/4885

“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.