SCHEMBL6960

SCHEMBL6960

CCOC(=O)COc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MAPT P10636 7/20 0.56
POLB P06746 4/20 0.56
LMNA P02545 4/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
CASP6 P55212 1/20 0.56
ATM Q13315 1/20 0.56
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 3/20 0.48
MAPK1 P28482 3/20 0.48
TLR9 Q9NR96 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 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
SCHEMBL23589335 0.90 ALDH1A1 (0.53) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL4180130 0.86 MAPT (0.51) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL24383989 0.86 KDM4E (0.48) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL182652 0.85 MAPT (0.52) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL7447406 0.84 MAPK1 (0.54) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL4261703 0.84 MAPT (0.51) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL3800698 0.83 NPC1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL182622 0.83 RAB9A (0.56) ALDH1A1MAPTLMNAHPGDSMN1; SMN2
SCHEMBL2925357 0.83 ALDH1A1 (0.53) ALDH1A1MAPTPOLBLMNAHPGD
SCHEMBL27732122 0.83 POLB (0.58) ALDH1A1MAPTPOLBLMNAHPGD

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
US-10259825-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2019-04-16 US disclosed
EP-3421476-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2019-01-02 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
EP-2488532-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-05-09 EP disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same SILICON VALLEY BANK 2017-11-09 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-9573962-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2015-10-01 US disclosed
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles GELLIBERT FRANCOISE J (FR) 2005-07-28 US disclosed
CN-1608065-A Phenyl substituted triazoles and their use as selective inhibors of akl5 kinase and pharmaceutical compositions containing the compounds SMITHKLINE BEECHAM CORP (US) 2005-04-20 CN disclosed
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase GASTER LARAMIE MARY (GB) 2005-01-20 US disclosed
US-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors GASTER LARAMIE MARY 2004-12-30 US disclosed
EP-1444232-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
EP-1444227-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-11 EP disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 US disclosed
WO-2003042207-A1 THIAZOLYL SUBSTITUTED TRIAZOLES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 WO disclosed
WO-2003042211-A1 PHENYL SUBSTITUTED TRIAZOLES AND THEIR USE AS SELECTIVE INHIBORS OF AKL5 KINASE SMITHKLINE BEECHAM CORPORATION (US) 2003-05-22 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 (7 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-20150274752-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME LPO, MPO, CAT ALDH1A1 1130/4885MAPT 4400/4885POLB 492/4885
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 ALDH1A1 782/4885MAPT 4789/4885POLB 4080/4885
US-20050014938-A1 Phenyl substituted triazoles and their use as selective inhibitors of akl5 kinase AKR1C3, CBR3, PHKG1 ALDH1A1 2451/4885MAPT 4591/4885POLB 2366/4885
US-20040266842-A1 Thiazolyl substituted triazoles as alk5 inhibitors CBR3, CBR1, ALK ALDH1A1 1905/4885MAPT 4735/4885POLB 2560/4885
US-10259825-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT ALDH1A1 1130/4885MAPT 4400/4885POLB 492/4885
US-20050165011-A1 Benzoxazine and benzoxazinone substituted triazoles ACVR1, TGFBR1, SMAD3 ALDH1A1 3541/4885MAPT 1751/4885POLB 4305/4885
US-20170320892-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT ALDH1A1 1130/4885MAPT 4400/4885POLB 492/4885

“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.