SCHEMBL4062020

SCHEMBL4062020

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
XBP1 P17861 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4062022 1.00 VCAM1 (0.53) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL8229723 0.83 MAPT (0.57) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL7218755 0.82 TDP1 (0.55) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL140068 0.82 ALDH1A1 (0.65) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL6821981 0.81 VCAM1 (0.53) VCAM1MEN1KMT2ALMNAMAPT
Nitric Acid SCHEMBL11801207 0.81 ALDH1A1 (0.59) VCAM1MEN1KMT2ALMNAMAPT
Nitric Acid SCHEMBL11801208 0.81 ALDH1A1 (0.59) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL730074 0.79 THRB (0.57) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL4442360 0.79 VCAM1 (0.50) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL4442693 0.79 VCAM1 (0.50) VCAM1MEN1KMT2ALMNAMAPT

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 4 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-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
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 (1 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-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT VCAM1 94/4885MEN1 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.