SCHEMBL6013576

SCHEMBL6013576

CNCCN(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
HCAR3 P49019 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
KAT2B Q92831 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL754128 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHCAR3HSD17B10
Hydrochloric Acid SCHEMBL3966111 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHCAR3HSD17B10
SCHEMBL9725472 0.81 TSHR (0.47) ALDH1A1KDM4EHCAR3KAT2BMEN1
SCHEMBL9725453 0.79 KDM4E (0.40) ALDH1A1KDM4EHCAR3TDP1MEN1
SCHEMBL11154622 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHCAR3MEN1
SCHEMBL21590304 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHCAR3HSD17B10
SCHEMBL9011356 0.77 MAPT (0.48) ALDH1A1KDM4EHCAR3HSD17B10MEN1
SCHEMBL8985861 0.77 MAPT (0.42) ALDH1A1POLBMEN1KMT2ANPSR1
SCHEMBL9725392 0.76 MAPT (0.46) ALDH1A1KDM4EPOLBTDP1MEN1
SCHEMBL9725444 0.76 PIK3CD (0.47) ALDH1A1KDM4EHCAR3TDP1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 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-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 ALDH1A1 1112/4885KDM4E 1657/4885POLB 2984/4885

“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.