SCHEMBL732920

SCHEMBL732920

COC(=O)C(C)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.49
RAF1 P04049 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
VCAM1 P19320 4/20 0.49
KDM4E B2RXH2 1/20 0.48
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL10773283 0.89 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL29749404 0.89 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL31430568 0.84 MT-CO2 (0.50) MAPTKMT2ACYP2C19ALDH1A1LMNA
SCHEMBL11681114 0.84 MT-CO2 (0.50) MAPTKMT2ACYP2C19ALDH1A1LMNA
SCHEMBL8579653 0.84 MAPT (0.53) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL732695 0.84 MAPT (0.53) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL732696 0.84 MAPT (0.53) MAPTMEN1KMT2AHTTCYP1A2
SCHEMBL4853197 0.83 ADRB2 (0.54) MAPTMEN1KMT2AHTTCYP3A4
SCHEMBL14797548 0.83 SMN1; SMN2 (0.50) MAPTMEN1KMT2AHTTRECQL
SCHEMBL31481066 0.83 ALDH1A1 (0.56) MAPTMEN1KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 EP disclosed
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 US disclosed
CN-1882554-A Carboxylic acid compounds and pharmaceutical compositions containing them as active ingredient ONO PHARMACEUTICAL CO (JP) 2006-12-20 CN disclosed
EP-1666473-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 EP 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT MAPT 1750/4885MEN1 4795/4885KMT2A 4044/4885
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT MAPT 1750/4885MEN1 4795/4885KMT2A 4044/4885

“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.