SCHEMBL523118

SCHEMBL523118

CCCCOC(=O)c1nc(Br)c2cc(Cl)ccc2c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 3/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL523135 0.95 ESR1 (0.46) ESR1L3MBTL1ALDH1A1TDP1ATM
SCHEMBL522997 0.88 ESR1 (0.48) ESR1L3MBTL1ALDH1A1TDP1ATM
SCHEMBL523449 0.88 ATM (0.55) ESR1L3MBTL1ALDH1A1TDP1ATM
SCHEMBL28625842 0.88 EGLN1 (0.50) ESR1CYP1A2CYP2C19THRATHRB
SCHEMBL523642 0.87 ESR1 (0.47) ESR1L3MBTL1TDP1ATMLMNA
SCHEMBL523303 0.87 ESR1 (0.47) ESR1L3MBTL1ALDH1A1TDP1ATM
SCHEMBL522811 0.86 ESR1 (0.46) ESR1L3MBTL1TDP1ATMLMNA
SCHEMBL522915 0.86 ESR1 (0.48) ESR1L3MBTL1ALDH1A1TDP1ATM
SCHEMBL523355 0.84 ESR1 (0.47) ESR1ATMLMNACYP1A2CYP2D6
SCHEMBL523596 0.84 TSHR (0.50) ESR1L3MBTL1ALDH1A1TDP1ATM

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 50 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
CN-103382216-B Make the Cyanoisoquinoline compound that hypoxia inducible factor (HIF) is stable FIBROGEN INC. (US) 2016-04-20 CN disclosed
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2016-01-14 US disclosed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US disclosed
US-7323475-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2008-01-29 US disclosed
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2007-12-27 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
WO-2007090068-A2 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN, INC. (US) 2007-08-09 WO disclosed
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. 2007-07-05 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 (12 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 ESR1 2987/4885L3MBTL1 1352/4885ALDH1A1 1476/4885
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ESR1 1801/4885L3MBTL1 3805/4885ALDH1A1 1436/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885L3MBTL1 1876/4885ALDH1A1 1908/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885L3MBTL1 1352/4885ALDH1A1 1476/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885L3MBTL1 1876/4885ALDH1A1 1908/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885L3MBTL1 1352/4885ALDH1A1 1476/4885
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, EGLN3, EGLN2 ESR1 3804/4885L3MBTL1 1876/4885ALDH1A1 1908/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ESR1 2381/4885L3MBTL1 2975/4885ALDH1A1 1134/4885
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN2, HIF1A ESR1 3596/4885L3MBTL1 1913/4885ALDH1A1 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 ESR1 3253/4885L3MBTL1 4281/4885ALDH1A1 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 ESR1 2238/4885L3MBTL1 514/4885ALDH1A1 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 ESR1 2866/4885L3MBTL1 3772/4885ALDH1A1 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.