SCHEMBL3836024

SCHEMBL3836024

Cc1nccn1-c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.48
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 3/20 0.46
NR3C2 P08235 1/20 0.45
MAPT P10636 4/20 0.44
THRB P10828 1/20 0.44
NOS1 P29475 1/20 0.43
S1PR4 O95977 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL7849307 0.93 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL7848626 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL2466528 0.83 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL15218938 0.81 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL961555 0.78 ALDH1A1 (0.47) ALDH1A1POLBKMT2ASMN1; SMN2RAB9A
SCHEMBL11349289 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL2048930 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL7081345 0.75 MAPT (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7278926 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBKMT2ASMN1; SMN2
SCHEMBL367990 0.75 MAPT (0.47) ALDH1A1POLBKMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
EP-1286998-B2 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2007-10-31 EP disclosed
US-7141583-B2 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2006-11-28 US disclosed
US-7087629-B2 Useful activity against Gram-positive pathogens and, in particular, against various strains exhibiting resistance to vancomycin and against E. faecium strains resistant to both aminoglycosides and clinically used beta-lactams ASTRAZENECA AB (SE) 2006-08-08 US disclosed
EP-1286998-B1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2004-06-09 EP disclosed
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity ASTRAZENECA AB (SE) 2003-11-20 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 US disclosed
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
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
EP-1286998-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY AstraZeneca AB (SE) 2003-03-05 EP disclosed
WO-2001081350-A1 OXAZOLIDINONE DERIVATIVES WITH ANTIBIOTIC ACTIVITY ASTRAZENECA AB (SE) 2001-11-01 WO disclosed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US 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 (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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L ALDH1A1 3134/4885KDM4E 1730/4885POLB 984/4885
US-20030216373-A1 Oxazolidinone derivatives with antibiotic activity STS, SULT1E1, OXA1L ALDH1A1 2884/4885KDM4E 1829/4885POLB 1454/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS ALDH1A1 1293/4885KDM4E 1696/4885POLB 1898/4885

“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.