SCHEMBL2272763

SCHEMBL2272763

COc1cccc(C=Cc2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAOA P21397 1/20 0.50
COMT P21964 1/20 0.50
FBP1 P09467 1/20 0.50
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PAX8 Q06710 1/20 0.48
NFE2L2 Q16236 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP19A1 P11511 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
TRPV1 Q8NER1 1/20 0.46
MEN1 O00255 1/20 0.46
RELA Q04206 1/20 0.46
ABCG2 Q9UNQ0 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
SCHEMBL2272757 1.00 ALDH1A1 (0.51) ALDH1A1MAOACOMTFBP1MAPT
SCHEMBL2273076 0.87 NFE2L2 (0.43) ALDH1A1MAPTLMNASMN1; SMN2NFE2L2
SCHEMBL2273070 0.87 NFE2L2 (0.43) ALDH1A1MAPTLMNASMN1; SMN2NFE2L2
SCHEMBL12394307 0.85 ALDH1A1 (0.56) ALDH1A1MAOACOMTFBP1MAPT
SCHEMBL2275308 0.81 CYP19A1 (0.53) MAOANFE2L2CYP19A1RELAABCG2
SCHEMBL2275299 0.81 CYP19A1 (0.53) MAOANFE2L2CYP19A1RELAABCG2
SCHEMBL4221419 0.77 MAPT (0.52) ALDH1A1MAPTLMNATDP1MAPK1
SCHEMBL4221413 0.77 MAPT (0.52) ALDH1A1MAPTLMNATDP1MAPK1
SCHEMBL2275484 0.77 KCNA3 (0.40) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL2275481 0.77 KCNA3 (0.40) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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 5 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-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 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 (2 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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 ALDH1A1 645/4885MAOA 802/4885COMT 4290/4885
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 ALDH1A1 1179/4885MAOA 1380/4885COMT 4834/4885

“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.