SCHEMBL4223100

SCHEMBL4223100

O=C(O)c1ccc(-c2ccccc2)cc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.67
AKR1C2 P52895 3/20 0.67
MPO P05164 1/20 0.61
CTSV O60911 2/20 0.59
CTSL P07711 2/20 0.59
TRPM2 O94759 1/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HDAC2 Q92769 1/20 0.51
CSNK2A1 P68400 1/20 0.50
MYC P01106 1/20 0.50
MAX P61244 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.49
DDX3X O00571 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4217003 0.87 AKR1C3 (0.64) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL4246352 0.85 CTSV (0.70) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL4223666 0.85 SIRT2 (0.61) AKR1C3AKR1C2MAPT
SCHEMBL4220771 0.84 AKR1C3 (0.55) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL9551960 0.83 CTSV (0.78) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL4164387 0.83 CTSV (0.78) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL4223119 0.82 AKR1C3 (0.60) AKR1C3AKR1C2MAPT
SCHEMBL4218724 0.82 AKR1C3 (0.64) AKR1C3AKR1C2MPOCTSVCTSL
SCHEMBL2273640 0.81 HDAC2 (0.67) AKR1C3AKR1C2TRPM2MAPTMEN1
SCHEMBL4212934 0.80 SIRT2 (0.52) AKR1C3AKR1C2CSNK2A1

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 287/4885MPO 192/4885

“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.