SCHEMBL522176

SCHEMBL522176

Cc1cccc(C)c1Oc1ccc(C#N)c(C#N)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.68
CYP19A1 P11511 1/20 0.50
MAOB P27338 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE4B Q07343 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL8630217 0.91 AR (0.58) ARCYP19A1
SCHEMBL1656112 0.87 AR (0.54) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL1655815 0.86 AR (0.68) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL1656725 0.83 AR (0.54) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL20510971 0.82 AR (0.50) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL20106821 0.82 AR (0.52) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL4181520 0.82 AR (1.00) AR
SCHEMBL15268658 0.81 AR (0.75) ARCYP19A1MAOBALDH1A1HPGD
SCHEMBL20510909 0.80 AR (0.70) ARCYP19A1ALDH1A1
SCHEMBL5145150 0.80 CYP19A1 (0.67) ARCYP19A1MAOBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390975-A Dispersible covalent triazine skeleton and preparation method and application thereof 人工智能与数字经济广东省实验室(深圳) 2025-02-07 CN claimed
CN-119390975-A Dispersible covalent triazine skeleton and preparation method and application thereof 人工智能与数字经济广东省实验室(深圳) 2025-02-07 CN disclosed
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-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-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
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 AR 2590/4885CYP19A1 2347/4885MAOB 685/4885
US-20160009653-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3449/4885CYP19A1 627/4885MAOB 748/4885
US-20080293763-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 AR 3460/4885CYP19A1 3284/4885MAOB 1102/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 AR 3460/4885CYP19A1 3284/4885MAOB 1102/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 AR 2590/4885CYP19A1 2347/4885MAOB 685/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 AR 3460/4885CYP19A1 3284/4885MAOB 1102/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 AR 2590/4885CYP19A1 2347/4885MAOB 685/4885
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, EGLN3, EGLN2 AR 3460/4885CYP19A1 3284/4885MAOB 1102/4885
US-20070298104-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 AR 3153/4885CYP19A1 1309/4885MAOB 1624/4885
US-20210060000-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN2, HIF1A AR 3272/4885CYP19A1 2963/4885MAOB 1045/4885
US-20040254215-A1 Adjust concentration of erythropoietin in blood; strokes; antiepileptic agents; liver disorders; antiulcer agents; central nervous system disorders EPOR, HIF1AN, HIF1A AR 4123/4885CYP19A1 1822/4885MAOB 2718/4885
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 AR 3844/4885CYP19A1 2502/4885MAOB 3506/4885
US-20060217416-A1 Antihypoxic agents; adjust concentration of erythropoietin concentration in blood; strokes; antiepileptic agents; neurodegenerative disease ; liver disorders; antiischemic agents EPOR, HIF1AN, HIF1A AR 4037/4885CYP19A1 2026/4885MAOB 1645/4885

“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.