SCHEMBL2276972

SCHEMBL2276972

CC(C)(C)OC(=O)c1ccc(C=CCCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SIRT5 Q9NXA8 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR52 Q9Y2T5 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2276968 1.00 KCNA3 (0.41) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2275481 0.89 KCNA3 (0.40) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2275484 0.89 KCNA3 (0.40) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2276195 0.84 NPC1 (0.46) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2276191 0.84 NPC1 (0.46) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2276188 0.84 NPC1 (0.46) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2273076 0.84 NFE2L2 (0.43) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL2273070 0.84 NFE2L2 (0.43) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL27696781 0.79 KCNA3 (0.39) KCNA3NPC1RAB9AMAPTL3MBTL1
SCHEMBL2272757 0.75 ALDH1A1 (0.51) NPC1RAB9AMAPTL3MBTL1ALDH1A1

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
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
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 (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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 KCNA3 3621/4885NPC1 4836/4885RAB9A 2238/4885

“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.