SCHEMBL589935

SCHEMBL589935

O=c1[nH]oc2[nH]c3ccccc3c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ HTT P42858 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GLA P06280 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ PARP1 P09874 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GPR3 P46089 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TNKS O95271 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 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
SCHEMBL2002523 0.76 KDM4E (0.52) KDM4EALDH1A1HTTGAALMNA
SCHEMBL21563828 0.75 KDM4E (0.67) KDM4EALDH1A1HTTGAALMNA
SCHEMBL10345038 0.71 ALDH1A1 (0.74) KDM4EALDH1A1HTTGAALMNA
SCHEMBL15131696 0.71 KDM4E (0.67) KDM4EALDH1A1HTTGAALMNA
Acridone SCHEMBL29641306 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HTTGAALMNA
SCHEMBL4146783 0.70 ALDH1A1 (0.90) KDM4EALDH1A1HTTGAALMNA
SCHEMBL30350396 0.70 ALDH1A1 (0.90) KDM4EALDH1A1HTTGAALMNA
Acridone SCHEMBL29360611 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HTTGAALMNA
Acridone SCHEMBL11519726 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HTTGAALMNA
Acridone SCHEMBL19289 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HTTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
EP-1664062-B1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2013-03-13 — — EP disclosed
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 — — US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
US-8114888-B2 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 — — US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 — — US disclosed
EP-1913004-B1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-09-22 — — EP disclosed
EP-1809639-B1 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2009-10-14 — — EP disclosed
EP-1913004-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2008-04-23 — — EP disclosed
WO-2006118605-A2 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-11-09 — — WO disclosed
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-10-19 — — US disclosed
WO-2006089054-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-24 — — WO disclosed
EP-1664062-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2006-06-07 — — EP disclosed
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US disclosed
US-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2005-04-07 — — US disclosed
WO-2005019228-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2005-03-03 — — WO disclosed
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 — — EP disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 — — US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 — — 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 (6 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-20050075363-A1 Isothiazoloquinolones and related compounds as anti-infective agents TOP1, IRF3, RECQL KDM4E 2795/4885ALDH1A1 2406/4885HTT 4523/4885
US-20060235041-A1 New isothiazoloquinolones and related compounds as anti-infective agents TOP1, RECQL, IRF3 KDM4E 3002/4885ALDH1A1 2630/4885HTT 4541/4885
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 KDM4E 3002/4885ALDH1A1 2630/4885HTT 4541/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL KDM4E 2880/4885ALDH1A1 2036/4885HTT 4536/4885
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, DNA2 KDM4E 1417/4885ALDH1A1 1663/4885HTT 4481/4885
US-20060100215-A1 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents RECQL, DNA2, REV1 KDM4E 2575/4885ALDH1A1 1263/4885HTT 3879/4885

“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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