SCHEMBL522433

SCHEMBL522433

Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
ESR2 Q92731 1/20 0.74
LTA4H P09960 6/20 0.61
NR1H2 P55055 1/20 0.61
BAX Q07812 1/20 0.61
PARP10 Q53GL7 1/20 0.50
SOS1 Q07889 1/20 0.48
HSPB1 P04792 1/20 0.48
GAA P10253 1/20 0.45

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
SCHEMBL249169 0.86 ESR2 (1.00) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL351854 0.86 SOS1 (0.58) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL6290683 0.86 SOS1 (0.58) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL18198 0.86 ESR2 (1.00) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL3175106 0.86 ESR2 (1.00) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL6289867 0.86 SOS1 (0.58) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL7811939 0.86 ESR2 (1.00) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL16607615 0.85 MAPT (0.58) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL2188901 0.85 PARP10 (0.58) ESR1MEN1KMT2AESR2LTA4H
SCHEMBL4046325 0.83 ESR1 (0.64) ESR1MEN1KMT2AESR2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2020-05-12 US claimed
CN-106554382-B Application in nucleoside phosphoramidite class compound and preparation method thereof and drug 四川科伦博泰生物医药股份有限公司 2019-12-03 CN claimed
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2019-08-08 US claimed
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2018-10-09 US claimed
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2017-02-09 US claimed
US-20160317523-A1 Treatment of Retinopathy of Prematurity (ROP) THE CLEVELAND CLINIC FOUNDATION 2016-11-03 US claimed
WO-2015095757-A1 TREATMENT OF RETINOPATHY OF PREMATURITY (ROP) THE CLEVELAND CLINIC FOUNDATION (US) 2015-06-25 WO claimed
CN-102977015-B Nitrogen-containing heteroaryl compounds and their use in increasing endogeneous erythropoietin FIBROGEN INC 2015-05-06 CN claimed
US-8916585-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2014-12-23 US claimed
US-20130178417-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2013-07-11 US claimed
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 claimed
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. 2007-07-05 US claimed
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 claimed
CN-1816527-A Nitrogen-containing heteroaryl compounds and their use in increasing endogenous erythropoietin FIBROGEN INC (US) 2006-08-09 CN claimed
EP-1644336-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2006-04-12 EP claimed
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 claimed
WO-2004108681-A1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN FIBROGEN, INC. (US) 2004-12-16 WO claimed
US-5082930-A Diagnosis, tumors MALLINCKRODT MEDICAL, INC. (US) 1992-01-21 US claimed
EP-0247866-B1 COUPLING AGENTS FOR RADIOLABELING PROTEINS Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-11-14 EP claimed
EP-0395578-A2 Acylated carbamic acid esters CIBA-GEIGY AG (CH) 1990-10-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20130178417-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885MEN1 4467/4885KMT2A 2350/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885MEN1 4467/4885KMT2A 2350/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885MEN1 4223/4885KMT2A 2002/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 ESR1 3804/4885MEN1 4467/4885KMT2A 2350/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 ESR1 2987/4885MEN1 4223/4885KMT2A 2002/4885
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, EGLN3, EGLN2 ESR1 3804/4885MEN1 4467/4885KMT2A 2350/4885
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders EPOR, HIF1AN, HIF1A ESR1 3253/4885MEN1 2544/4885KMT2A 2951/4885
US-20160317523-A1 Treatment of Retinopathy of Prematurity (ROP) VEGFA, ALDH1A2, PGF ESR1 4764/4885MEN1 4876/4885KMT2A 2910/4885
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 2238/4885MEN1 4703/4885KMT2A 1339/4885
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 2866/4885MEN1 2815/4885KMT2A 2327/4885

“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.