SCHEMBL13890893

SCHEMBL13890893

O=C(O)c1ccc(N2CCc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 5/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
EED O75530 1/20 0.47
GSK3B P49841 1/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
KDM4C Q9H3R0 1/20 0.42

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
SCHEMBL4226518 0.83 MEN1 (0.53) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL10620889 0.81 EED (0.55) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL13890895 0.81 NPC1 (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL14428223 0.77 KDM4C (0.49) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL4220968 0.76 KDM4C (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20956996 0.74 MEN1 (0.60) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5460618 0.74 MEN1 (0.74) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL11464258 0.74 ALDH1A1 (0.61) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL2269025 0.74 MAPT (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL31423825 0.73 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1KMT2ALMNA

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 2 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
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 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-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 ALDH1A1 1179/4885MAPT 4791/4885MAPK1 198/4885

“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.