SCHEMBL2274722

SCHEMBL2274722

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.55
▸ HPSE Q9Y251 1/20 0.54
▸ POLB P06746 1/20 0.51
▸ AKR1C3 P42330 3/20 0.50
▸ AKR1C2 P52895 2/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ XDH P47989 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ MCL1 Q07820 2/20 0.45
▸ SRD5A2 P31213 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL3889423 0.88 MEN1 (0.55) KDM4EHPSEPOLBAKR1C3AKR1C2
SCHEMBL21072635 0.85 XDH (0.58) KDM4EHPSEPOLBAKR1C3AKR1C2
SCHEMBL18687051 0.85 MEN1 (0.60) KDM4EHPSEPOLBAKR1C3AKR1C2
SCHEMBL11717375 0.82 KDM4E (0.44) KDM4EHPSEMEN1KMT2AXDH
SCHEMBL2270511 0.82 XDH (0.46) KDM4EHPSEPOLBAKR1C3AKR1C2
SCHEMBL10717379 0.82 ALDH1A1 (0.55) KDM4EHPSEMEN1KMT2AXDH
SCHEMBL1602832 0.81 MAPK1 (0.51) KDM4EHPSEMEN1KMT2AXDH
SCHEMBL147187 0.81 AKR1C3 (0.63) KDM4EAKR1C3AKR1C2MEN1KMT2A
SCHEMBL28256429 0.80 HPSE (0.64) KDM4EHPSEAKR1C3AKR1C2MEN1
SCHEMBL6665583 0.80 MAOB (0.55) MEN1KMT2AMCL1

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 17 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-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 — — 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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 — — 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
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 — — EP disclosed
US-7220777-B2 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2007-05-22 — — US disclosed
EP-1436267-B1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2006-12-27 — — EP disclosed
US-20060287321-A1 Novel Lactam Derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-12-21 — — US disclosed
US-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors SMITHKLINE BEECHAM P.L.C. (GB) 2005-03-17 — — US disclosed
CN-1596247-A Lactam derivatives as antagonists of the human 11CBY receptor SMITHKLINE BEECHAM PLC (GB) 2005-03-16 — — CN disclosed
EP-1436267-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2004-07-14 — — EP disclosed
WO-2003033480-A1 LACTAM DERIVATIVES AS ANTAGONISTS FOR HUMAN 11CBY RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — WO 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 (3 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-20050059651-A1 Lactam derivatives as antagonists for human 11cby receptors ADRB3, GPR3, ADRB1 KDM4E 3403/4885HPSE 4190/4885POLB 3020/4885
US-20060287321-A1 Novel Lactam Derivatives MRPL21, PEPD, STS KDM4E 3838/4885HPSE 3244/4885POLB 3169/4885
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 KDM4E 1257/4885HPSE 1324/4885POLB 3860/4885

“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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