SCHEMBL522593

SCHEMBL522593

CCCCOC(=O)c1ncc2ccc([S+]([O-])c3ccccc3)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.41
TSHR P16473 6/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 5/20 0.38
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL523292 0.92 EGLN1 (0.41) EGLN2TSHRALDH1A1CYP3A4KDM4E
SCHEMBL522362 0.82 EGLN2 (0.59) EGLN2
SCHEMBL524667 0.82 EGLN2 (0.41) EGLN2TSHRALDH1A1CYP3A4KDM4E
SCHEMBL522441 0.81 GABRA1 (0.49) EGLN2TSHRALDH1A1CYP3A4KDM4E
SCHEMBL27653607 0.81 TSHR (0.50) TSHRALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL522594 0.81 TSHR (0.43) TSHRALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL522456 0.80 EGLN2 (0.48) EGLN2TSHRALDH1A1CYP3A4KDM4E
SCHEMBL520976 0.79 ATM (0.54) TSHRALDH1A1CYP3A4KDM4ECYP1A2
SCHEMBL522426 0.79 EGLN2 (0.50) EGLN2MAPTHPGDSMN1; SMN2
SCHEMBL30537078 0.76 EGLN1 (0.61) EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229637-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2022-01-25 US disclosed
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2021-03-04 US disclosed
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2020-05-12 US disclosed
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2019-08-08 US disclosed
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2018-10-09 US disclosed
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2017-02-09 US disclosed
US-9339527-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2016-05-17 US disclosed
US-8916585-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2014-12-23 US disclosed
US-20140343094-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2014-11-20 US disclosed
US-8765956-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2014-07-01 US disclosed
US-7863292-B2 modulators of hypoxia inducible factors and/or endogenous erythropoietin, such as 1-Chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carboxylic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide, used for the treatment of anemic disorders, neurological disorders and/or injuries FIBROGEN, INC. (US) 2011-01-04 US disclosed
US-7629357-B2 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents FIBROGEN, INC. (US) 2009-12-08 US disclosed
US-20080293763-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2008-11-27 US disclosed
US-7323475-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2008-01-29 US disclosed
US-20070185159-A1 modulators of hypoxia inducible factors and/or endogenous erythropoietin, such as 1-Chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carboxylic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide, used for the treatment of anemic disorders, neurological disorders and/or injuries FIBROGEN, INC. 2007-08-09 US disclosed
US-20060217416-A1 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents FIBROGEN, INC. 2006-09-28 US disclosed
CN-1816527-A Nitrogen-containing heteroaryl compounds and their use in increasing endogenous erythropoietin FIBROGEN INC (US) 2006-08-09 CN disclosed
EP-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP disclosed
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders FIBROGEN, INC. 2004-12-16 US disclosed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 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 (11 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-11229637-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 EGLN2 3/4885TSHR 3855/4885ALDH1A1 1476/4885
US-20140343094-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 EGLN2 3/4885TSHR 3882/4885ALDH1A1 1908/4885
US-20080293763-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 EGLN2 3/4885TSHR 3882/4885ALDH1A1 1908/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 EGLN2 3/4885TSHR 3882/4885ALDH1A1 1908/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 EGLN2 3/4885TSHR 3855/4885ALDH1A1 1476/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 EGLN2 3/4885TSHR 3882/4885ALDH1A1 1908/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 EGLN2 3/4885TSHR 3855/4885ALDH1A1 1476/4885
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN2, HIF1A EGLN2 2/4885TSHR 3716/4885ALDH1A1 1674/4885
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders EPOR, HIF1AN, HIF1A EGLN2 4/4885TSHR 1302/4885ALDH1A1 1829/4885
US-20070185159-A1 modulators of hypoxia inducible factors and/or endogenous erythropoietin, such as 1-Chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carboxylic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide, used for the treatment of anemic disorders, neurological disorders and/or injuries HIF1AN, HIF1A, EPOR EGLN2 5/4885TSHR 3288/4885ALDH1A1 389/4885
US-20060217416-A1 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents EPOR, HIF1AN, HIF1A EGLN2 5/4885TSHR 1016/4885ALDH1A1 946/4885

“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.