SCHEMBL1765172

SCHEMBL1765172

O=Cc1ccccc1OC[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 3/20 0.63
HTT P42858 1/20 0.63
MAPT P10636 4/20 0.59
PTGDR2 Q9Y5Y4 1/20 0.53
KMT2A Q03164 5/20 0.46
LMNA P02545 5/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RECQL P46063 2/20 0.44
SRC P12931 1/20 0.43
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL3110577 0.82 NPC1 (0.50) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL7363630 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL6914412 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL15941304 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL9247222 0.78 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL834422 0.77 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL7358847 0.77 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL8583622 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL1276592 0.77 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2HPGDHTTMAPT
SCHEMBL5805320 0.77 ALDH1A1 (0.87) ALDH1A1SMN1; SMN2HPGDHTTMAPT

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-3184095-A1 ADMINISTRATION UNITS COMPRISING POLYMORPH 1 OF 2-(2-METHYLAMINO-PYRIMIDIN-4-YL]-1H-INDOLE-5-CARBOXYLIC ACID [(S)-1-CARBAMOYL-2-(PHENYL-PYRIMIDIN-2-YL-AMINO)-ETHYL]-AMIDE IP Gesellschaft für Management mbH (DE) 2017-06-28 EP disclosed
EP-2805705-B1 Packaging with one or more administration units comprising a sodium salt of (R)-3-[6-amino-pyridin-3-yl]-2-(1-cyclohexyl-1 H-imidazol-4-yl)-propionic acid IP GES FÜR MAN MBH (DE) 2016-11-09 EP disclosed
EP-2805705-A1 Packaging with one or more administration units comprising a sodium salt of (R)-3-[6-amino-pyridin-3-yl]-2-(1-cyclohexyl-1 H-imidazol-4-yl)-propionic acid IP Gesellschaft für Management mbH (DE) 2014-11-26 EP disclosed
WO-2013084150-A1 NOVEL CRYSTAL FORM OF (2S)-2-AMINO-3-HYDROXY-N-[2-METHOXY-2-[(1Z)-2-(3,4,5-TRIMETHOXYPHENYL)ETHENYL]PHENYL]PROPANAMIDE AND METHOD OF PREPARATION THEREOF SANOFI (FR) 2013-06-13 WO disclosed
EP-2562154-A1 Method for preparing combretastatin SANOFI (FR) 2013-02-27 EP disclosed
EP-2348012-A1 PROCESS FOR THE PREPARATION OF COMBRETASTATINE Aventis Pharma S.A. (FR) 2011-07-27 EP disclosed
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
EP-2252572-A1 METHOD FOR PREPARING COMBRETASTATIN Sanofi-Aventis (FR) 2010-11-24 EP disclosed
WO-2009118474-A1 METHOD FOR PREPARING COMBRETASTATIN SANOFI-AVENTIS (FR) 2009-10-01 WO disclosed
CN-1291970-C Method for preparing combretastatins AVENTIS PHARMA SA (FR) 2006-12-27 CN disclosed
CN-1646476-A Method for preparing combretastatins AVENTIS PHARMA SA (FR) 2005-07-27 CN disclosed
EP-1497255-A2 METHOD FOR PREPARING COMBRETASTATINS Aventis Pharma S.A. (FR) 2005-01-19 EP disclosed
US-6759555-B2 CONDENSING (3,4,5-TRIMETHOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE WITH 3-NITRO-4-METHOXYBENZALDEHYDE, REDUCING THE NITRO INTERMEDIATE TO FORM 2-METHOXY-5-(2-(3,4,5-TRIMETHOXYPHENYL)-ETHENYL)ANILINE AVENTIS PHARMA S.A. (FR) 2004-07-06 US disclosed
WO-2003084919-A3 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA SA (FR) 2004-04-08 WO disclosed
US-20030220404-A1 Process for the preparation of combretastatins AVENTIS PHARMA S.A. (FR) 2003-11-27 US disclosed
WO-2003084919-A2 METHOD FOR PREPARING COMBRETASTATINS AVENTIS PHARMA S.A. (FR) 2003-10-16 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 (2 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-20030220404-A1 Process for the preparation of combretastatins TGFB2, HMGCR, TGFB1 ALDH1A1 2753/4885SMN1; SMN2 1402/4885HPGD 1315/4885
US-20110124899-A1 METHOD FOR PREPARING COMBRETASTATIN PCSK9, PCSK7, HMGCR ALDH1A1 4433/4885SMN1; SMN2 3392/4885HPGD 3568/4885

“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.