SCHEMBL4211104

SCHEMBL4211104

CC(C)(C)OC(=O)c1ccc(CCc2ccccc2)cc1Nc1cncc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TRPV1 Q8NER1 6/20 0.38
▸ CDC25B P30305 3/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ CDC25C P30307 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35

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
SCHEMBL13890914 0.85 KDM4C (0.46) HDAC6TRPV1CDC25BADRA2AADRA2B
SCHEMBL4218343 0.84 HDAC6 (0.38) HDAC6TRPV1CDC25BCDC25ACDC25C
Trifluoroacetic Acid SCHEMBL4218342 0.82 CDC25B (0.42) HDAC6TRPV1CDC25BADRA2AADRA2B
SCHEMBL4217327 0.79 RAB9A (0.42) P2RX7ADRA1APLA2G2A
SCHEMBL4221179 0.77 POLB (0.46) P2RX7ADRA1A
SCHEMBL4219791 0.77 ADRA1A (0.39) P2RX7ADRA1A
SCHEMBL4221441 0.77 SIRT2 (0.46) ABCG2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4213227 0.76 RAB9A (0.47) PLA2G2A
SCHEMBL4220608 0.76 ADRA1A (0.46) HDAC6ADRA1A
SCHEMBL4215772 0.76 SIRT2 (0.45) ABCG2PLA2G2A

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 HDAC6 609/4885TRPV1 3589/4885CDC25B 3872/4885

“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.

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