SCHEMBL523355

SCHEMBL523355

CCCCOC(=O)c1nc(Br)c2cc(C(F)(F)F)ccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.47
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ATF1 P18846 1/20 0.39
NFKB1 P19838 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 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
SCHEMBL522839 0.96 ESR1 (0.47) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL523269 0.90 ESR1 (0.44) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL522290 0.88 ESR1 (0.44) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL522811 0.86 ESR1 (0.46) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL523449 0.86 ATM (0.55) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL1656358 0.85 EGLN2 (0.44) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL523642 0.85 ESR1 (0.47) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL523303 0.85 ESR1 (0.47) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL523118 0.84 ESR1 (0.46) ESR1LMNACYP1A2CYP2D6TSHR
SCHEMBL522817 0.82 ESR1 (0.43) ESR1LMNACYP1A2CYP2D6TSHR

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 46 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-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-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 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 (13 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 2987/4885LMNA 2670/4885CYP1A2 1675/4885
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ESR1 1801/4885LMNA 1000/4885CYP1A2 512/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885LMNA 3562/4885CYP1A2 2637/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885LMNA 2670/4885CYP1A2 1675/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885LMNA 3562/4885CYP1A2 2637/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885LMNA 2670/4885CYP1A2 1675/4885
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, EGLN3, EGLN2 ESR1 3804/4885LMNA 3562/4885CYP1A2 2637/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ESR1 2381/4885LMNA 901/4885CYP1A2 1032/4885
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN2, HIF1A ESR1 3596/4885LMNA 3635/4885CYP1A2 2377/4885
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders EPOR, HIF1AN, HIF1A ESR1 3253/4885LMNA 1542/4885CYP1A2 481/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 ESR1 2381/4885LMNA 901/4885CYP1A2 1032/4885
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 2238/4885LMNA 2338/4885CYP1A2 2062/4885
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 2866/4885LMNA 2349/4885CYP1A2 534/4885

“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.