SCHEMBL145875

SCHEMBL145875

O=C(CBr)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.54
▸ IDO1 P14902 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ AKR1C3 P42330 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ HTR2A P28223 1/20 0.50

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
SCHEMBL28022449 0.88 ALDH1A1 (0.52) RAB9AIDO1ALDH1A1MAPTGSK3B
SCHEMBL1555636 0.86 ALDH1A1 (0.59) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL5235557 0.85 IDO1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL7729899 0.85 ALDH1A1 (0.58) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL15388876 0.83 RAB9A (0.61) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL6141237 0.83 ALDH1A1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL5016761 0.83 RAB9A (0.54) RAB9AIDO1ALDH1A1MAPTAKR1C3
Water SCHEMBL8424505 0.83 RAB9A (0.54) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL11094410 0.83 ALDH1A1 (0.56) RAB9AIDO1ALDH1A1MAPTAKR1C3
SCHEMBL8697546 0.83 RAB9A (0.54) RAB9AIDO1ALDH1A1MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5170707-A — — None — — JP disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 — — US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 — — EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 — — US disclosed
US-7045619-B2 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2006-05-16 — — US disclosed
US-6686353-B1 PREVENTING BLOOD MONOCYTES AND LYMPHOCYTES FROM INFILTRATING TISSUE TEIJIN INTELLECTUAL PROPERTY CENTER LIMITED (JP) 2004-02-03 — — US disclosed
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2003-09-04 — — US disclosed
EP-0725783-B1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-12-18 — — EP disclosed
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. 2002-10-10 — — US disclosed
EP-0914319-B1 DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS TEIJIN LTD (JP) 2001-11-21 — — EP disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4477447-A ANTIBIOTIC, BACTERICIDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-16 — — US disclosed
US-4473578-A ACID, ESTER OR SALT DERIVATIVES OF MERCAPTO CARBAPENEMS BEECHAM GROUP LIMITED (GB) 1984-09-25 — — US disclosed
EP-0115308-A2 2-Unsaturated alkylthio-pen-2-em-3-carboxylic acids and process for preparing substituted 2-thioxopenams and 2-substituted thiopenems MERCK & CO. INC. (US) 1984-08-08 — — EP disclosed
EP-0055990-A1 Beta-lactam antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1982-07-14 — — EP disclosed
US-4309346-A INTERMEDIATES FOR AMINO ACID DERIVATIVE ANTIBIOTICS MERCK & CO., INC. (US) 1982-01-05 — — US disclosed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 — — EP disclosed
US-4251517-A FUNGICIDES CIBA-GEIGY CORPORATION (US) 1981-02-17 — — US disclosed
EP-0003415-A2 Beta-Lactam compounds, processes for their preparation,compositions containing them and intermediates of use in their preparation GLAXO GROUP LIMITED (GB) 1979-08-08 — — EP disclosed
EP-0000636-A1 Penem compounds, processes for their preparation, their use in pharmaceutical compositions and azetidinones used in their preparation GLAXO GROUP LIMITED (GB) 1979-02-07 — — 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 (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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 RAB9A 531/4885IDO1 2140/4885ALDH1A1 96/4885
US-20020147333-A1 2-(pyrazol-3-yl)carbapenem derivatives DPEP1, DHPS, JMJD6 RAB9A 1275/4885IDO1 1498/4885ALDH1A1 308/4885
US-20030166923-A1 2-(pyrazol-3-yl)carbapenem derivatives DHPS, DPEP1, JMJD6 RAB9A 1442/4885IDO1 1282/4885ALDH1A1 343/4885

“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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