SCHEMBL5790318

SCHEMBL5790318

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@]2(C#N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 3/20 0.52
RORC P51449 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
PGR P06401 1/20 0.34
NAMPT P43490 1/20 0.34
NR1H2 P55055 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL5791086 1.00 MAPT (0.52) MAPTLMNAALDH1A1RORCSMN1; SMN2
SCHEMBL5764197 1.00 MAPT (0.52) MAPTLMNAALDH1A1RORCSMN1; SMN2
SCHEMBL5761621 0.87 MAPT (0.43) MAPTLMNAALDH1A1RORCSMN1; SMN2
SCHEMBL3368383 0.84 RORC (0.51) RORCGPR119NAMPTNR1H2
SCHEMBL3368376 0.84 RORC (0.51) RORCGPR119NAMPTNR1H2
SCHEMBL3368381 0.84 RORC (0.51) RORCGPR119NAMPTNR1H2
SCHEMBL5790189 0.83 RORC (0.47) RORCGPR119NAMPT
SCHEMBL30833571 0.83 RORC (0.47) RORCGPR119NAMPT
SCHEMBL5790185 0.83 RORC (0.47) RORCGPR119NAMPT
SCHEMBL5763319 0.81 PGR (0.36) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247286-A1 Oxazolidinone antibiotics and derivatives thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 US disclosed
EP-1656357-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-05-17 EP disclosed
WO-2005005399-A1 OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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-20060247286-A1 Oxazolidinone antibiotics and derivatives thereof OXA1L, RORC, IL17A MAPT 3563/4885LMNA 3911/4885ALDH1A1 1496/4885

“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.