SCHEMBL4216643

SCHEMBL4216643

O=C(O)c1ccc(-c2ccccc2)cc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.58
AKR1C2 P52895 4/20 0.58
AKR1B1 P15121 2/20 0.54
AKR1C4 P17516 2/20 0.54
AKR1C1 Q04828 2/20 0.54
AKR1B10 O60218 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ASPH Q12797 1/20 0.52
KDM8 Q8N371 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CASP7 P55210 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MYC P01106 2/20 0.50
MAX P61244 1/20 0.50

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
SCHEMBL453183 0.84 AKR1C3 (0.68) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL21248588 0.84 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL4213908 0.81 AKR1C3 (0.55) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL13877204 0.81 AKR1C3 (0.55) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL4217003 0.80 AKR1C3 (0.64) AKR1C3AKR1C2ALDH1A1MAPK1L3MBTL1
SCHEMBL5193454 0.79 CRHBP (0.59) ALDH1A1MAPK1TDP1MEN1KMT2A
SCHEMBL4218109 0.79 ACMSD (0.60) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL4217337 0.79 FABP3 (0.73) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL4223100 0.78 AKR1C3 (0.67) AKR1C3AKR1C2ALDH1A1TDP1MEN1
SCHEMBL9119093 0.77 ABCB1 (0.57) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1

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
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 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-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 AKR1C3 105/4885AKR1C2 287/4885AKR1B1 305/4885

“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.