SCHEMBL4221601

SCHEMBL4221601

CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.52
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
KCNMA1 Q12791 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ABCC1 P33527 8/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
CES2 O00748 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL8365480 0.89 ABCB1 (0.49) ABCB1CRHBPCRHR2KCNMA1MEN1
SCHEMBL12117498 0.88 ABCB1 (0.42) ABCB1MEN1KMT2AALOX5
SCHEMBL2274516 0.87 ABCB1 (0.41) ABCB1LMNAMAPT
SCHEMBL12466331 0.87 L3MBTL1 (0.42) ABCB1MEN1MAPTKMT2A
SCHEMBL12117467 0.85 MCL1 (0.42) ABCB1MAPTCES2
Iodide SCHEMBL12466442 0.85 ABCB1 (0.39) ABCB1KCNMA1MEN1LMNAMAPT
SCHEMBL2271534 0.85 ABCB1 (0.61) ABCB1CRHBPCRHR2KCNMA1MEN1
SCHEMBL4210431 0.84 ALOX5 (0.43) ABCB1MEN1MAPTKMT2AALOX5
SCHEMBL1315554 0.83 CYP17A1 (0.50) ABCB1MEN1MAPTKMT2AALOX5
SCHEMBL1316419 0.83 ABCB1 (0.47) ABCB1LMNAMAPTABCC1

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
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-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP 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 ABCB1 2878/4885CRHBP 4214/4885CRHR2 2552/4885

“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.