SCHEMBL7081533

SCHEMBL7081533

O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.57
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP4 P49662 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
FAAH O00519 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC1 Q13547 1/20 0.39
LMNA P02545 4/20 0.39
TNK2 Q07912 1/20 0.39
TNK1 Q13470 1/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 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
SCHEMBL4513293 0.82 MAPK1 (0.41) PARP1ALDH1A1KMT2APOLBRAB9A
SCHEMBL5495641 0.82 MCHR1 (0.46) ALDH1A1KMT2AACHEPOLBLMNA
SCHEMBL7078018 0.81 HDAC1 (0.44) PARP1ALDH1A1HDAC1LMNATNK2
SCHEMBL16371471 0.78 LMNA (0.39) PARP1ALDH1A1KMT2AACHERAB9A
SCHEMBL18111982 0.78 LMNA (0.39) PARP1ALDH1A1KMT2AACHERAB9A
SCHEMBL7832712 0.74 ALDH1A1 (0.49) CASP1CASP3CASP4CASP7CASP9
SCHEMBL7832716 0.74 ALDH1A1 (0.49) CASP1CASP3CASP4CASP7CASP9
SCHEMBL18314133 0.74 PARP1 (1.00) PARP1TNK2TNK1
SCHEMBL6449799 0.72 ALDH1A1 (0.64) PARP1ALDH1A1KMT2APOLBLMNA
SCHEMBL18112205 0.72 IDO1 (0.35) PARP1CASP1CASP3CASP4CASP7

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-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 US disclosed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L PARP1 4066/4885CASP1 1078/4885CASP3 350/4885

“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.