SCHEMBL4287750

SCHEMBL4287750

CC(C)(C)OC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2F)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
DRD2 P14416 1/20 0.49
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
F10 P00742 1/20 0.45
HTT P42858 1/20 0.44
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSK P43235 2/20 0.42

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
SCHEMBL4287745 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL5232224 1.00 ALDH1A1 (0.51) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL7852751 0.97 ALDH1A1 (0.48) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL7852754 0.97 ALDH1A1 (0.48) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL30915181 0.95 DRD2 (0.54) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL13419542 0.95 DRD2 (0.54) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL31333941 0.88 DRD2 (0.46) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL13623221 0.88 DRD2 (0.49) ALDH1A1MAPTDRD2PIM1PIM3
SCHEMBL31334849 0.88 DRD2 (0.54) ALDH1A1MAPTLMNADRD2THRB
SCHEMBL12836001 0.86 LMNA (0.54) ALDH1A1MAPTLMNADRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 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
US-6734200-B1 ANTIBIOTIC COMPOUNDS CONTAINING A SUBSTITUTED OXAZOLIDINONE RING; ACTIVITY AGAINST GRAM-POSITIVE PATHOGENS ASTRAZENECA AB (SE) 2004-05-11 US disclosed
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials ASTRAZENECA AB (SE) 2003-11-06 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885MAPT 4710/4885LMNA 2658/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885LMNA 2990/4885
US-20030207899-A1 Heterocyclylaminomethyloxazo-lidinones as antibacterials HDHD5, CYP8B1, LSS ALDH1A1 1293/4885MAPT 4853/4885LMNA 1655/4885

“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.