SCHEMBL2925357

SCHEMBL2925357

CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.53
▸ LMNA P02545 7/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 9/20 0.50
▸ HPGD P15428 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TLR9 Q9NR96 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ S1PR4 O95977 1/20 0.50
▸ ITGA4 P13612 1/20 0.50
▸ S1PR1 P21453 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ POLB P06746 1/20 0.48

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
SCHEMBL3775139 0.90 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL11785719 0.89 PLA2G4B (0.53) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL531660 0.88 ALDH1A1 (0.54) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL10928328 0.85 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL10928329 0.85 ALDH1A1 (0.47) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL662081 0.85 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL182652 0.84 MAPT (0.52) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL27606455 0.84 ALDH1A1 (0.53) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL2555859 0.84 MEN1 (0.61) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL6960 0.83 ALDH1A1 (0.56) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11603349-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD (AU) 2023-03-14 — — US disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 — — US disclosed
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD (AU) 2021-08-12 — — US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 — — US disclosed
US-11014873-B2 Anti-fibrotic compounds CERTA THERAPEUTICS PTY LTD. (AU) 2021-05-25 — — US disclosed
EP-2906216-B1 INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS KUMAR AJAY (GB) 2020-06-24 — — EP disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 — — US disclosed
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS SHIRE HUMAN GENETIC THERAPIES, INC. 2020-02-20 — — US disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 — — WO disclosed
WO-2018144620-A9 ANTI-FIBROTIC COMPOUNDS CERTA THERAPEUTICS PTY LTD. (AU) 2019-01-24 — — WO disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 — — US disclosed
EP-1569653-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K Warner-Lambert Company LLC (US) 2005-09-07 — — EP disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 — — US disclosed
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-15 — — US disclosed
WO-2004052373-A1 BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K WARNER-LAMBERT COMPANY LLC (US) 2004-06-24 — — WO disclosed
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents BARVIAN NICOLE (US) 2004-06-24 — — US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 — — EP disclosed
EP-1359908-A1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-11-12 — — EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 — — WO disclosed
WO-2002056882-A1 QUINOLINES AND NITROGENATED DERIVAIVE THEREOF SUBSTITUTED IN 4-POSITION BY A PIPERIDINE-CONTAINING MOIETY AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-25 — — 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 (7 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 ALDH1A1 3787/4885LMNA 2737/4885CYP1A2 1387/4885
US-20040121996-A1 Benzoxazin-3-ones and derivatives thereof as therapeutic agents XDH, HAX1, CYP4X1 ALDH1A1 782/4885LMNA 695/4885CYP1A2 269/4885
US-11603349-B2 Anti-fibrotic compounds TGFB1, SMAD3, TGFB2 ALDH1A1 1274/4885LMNA 580/4885CYP1A2 4019/4885
US-20210246100-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, TGFB2 ALDH1A1 1274/4885LMNA 580/4885CYP1A2 4019/4885
US-11014873-B2 Anti-fibrotic compounds TGFB1, SMAD3, SMAD2 ALDH1A1 1184/4885LMNA 654/4885CYP1A2 4174/4885
US-20200055814-A1 ANTI-FIBROTIC COMPOUNDS TGFB1, SMAD3, SMAD2 ALDH1A1 1967/4885LMNA 652/4885CYP1A2 4445/4885
US-20040138219-A1 Quinolines and nitrogenated derivative therof substituted in 4-position by a piperidine-containing moiety and their use as antibacterial agents NCF1, TEAD1, TYMS ALDH1A1 1742/4885LMNA 2504/4885CYP1A2 1267/4885

“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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