SCHEMBL2270511

SCHEMBL2270511

CC(C)(C)OC(=O)c1ccc(Oc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ HPSE Q9Y251 1/20 0.42
▸ AKR1C3 P42330 2/20 0.41
▸ AKR1C2 P52895 2/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TLR4 O00206 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ POLB P06746 2/20 0.39

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
SCHEMBL21072635 0.85 XDH (0.58) XDHKDM4EHPSEAKR1C3AKR1C2
SCHEMBL2274722 0.82 KDM4E (0.55) XDHKDM4EHPSEAKR1C3AKR1C2
SCHEMBL4221601 0.82 ABCB1 (0.52) MAPTCES2KMT2AALOX5
SCHEMBL2617463 0.82 ALDH1A1 (0.44) KDM4EAKR1C3AKR1C2ALDH1A1NPSR1
SCHEMBL1028520 0.80 TDP1 (0.46) KDM4EFFAR1SIRT6ALDH1A1NPSR1
SCHEMBL14966709 0.80 SRD5A2 (0.48) AKR1C3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL4748764 0.79 ALDH1A1 (0.53) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL31150407 0.79 ALDH1A1 (0.53) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL3512823 0.79 CASP6 (0.55) HPGDMAPTPOLBKMT2A
SCHEMBL1316195 0.79 PARP10 (0.41) XDHKDM4EAKR1C3ALDH1A1HPGD

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
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 — — CN 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
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 — — CN 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 XDH 16/4885KDM4E 1257/4885HPSE 1324/4885

“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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