SCHEMBL8909174

SCHEMBL8909174

CCOC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.48
STAT3 P40763 1/20 0.48
MAPT P10636 9/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 6/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
THRB P10828 2/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.47
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8909177 1.00 MET (0.48) METSTAT3MAPTNPSR1ALDH1A1
SCHEMBL30970390 0.83 ESR1 (0.46) MAPTALDH1A1KDM4EGAACYP1A2
SCHEMBL27273810 0.83 ESR1 (0.46) MAPTALDH1A1KDM4EGAACYP1A2
SCHEMBL12004153 0.81 MAPT (0.55) METMAPTALDH1A1KDM4EKMT2A
SCHEMBL1613587 0.81 MAPT (0.55) METMAPTALDH1A1KDM4EKMT2A
SCHEMBL1613586 0.81 MAPT (0.55) METMAPTALDH1A1KDM4EKMT2A
SCHEMBL9150112 0.81 ALDH1A1 (0.43) MAPTALDH1A1KDM4EGAACYP1A2
SCHEMBL9150118 0.81 ALDH1A1 (0.43) MAPTALDH1A1KDM4EGAACYP1A2
SCHEMBL14078326 0.81 ALDH1A1 (0.47) METMAPTNPSR1ALDH1A1KDM4E
SCHEMBL18163764 0.80 CNKSR1 (0.57) STAT3MAPTNPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-08-30 US disclosed
WO-2012094462-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-07-12 WO disclosed
US-5670664-A Photosensitive organic compounds that release carbon monoxide upon illumination UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 1997-09-23 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 (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-20120220589-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MET 3190/4885STAT3 2285/4885MAPT 3629/4885

“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.