SCHEMBL3640233

SCHEMBL3640233

O=Cc1csc2ccc(Cl)cc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.64
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 1/20 0.44
ERN1 O75460 1/20 0.44
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 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
SCHEMBL29679015 1.00 CYP2A6 (0.64) CYP2A6KEAP1NFE2L2TDP1CA2
SCHEMBL1121640 0.85 CYP2A6 (0.56) CYP2A6KEAP1NFE2L2TDP1CA2
SCHEMBL5397554 0.78 CYP2A6 (0.64) CYP2A6CA2ERN1PTPN1MAPT
SCHEMBL19735067 0.78 CYP2A6 (0.64) CYP2A6TDP1ERN1MAPT
SCHEMBL2022637 0.78 CYP2A6 (1.00) CYP2A6CA2ERN1PTPN1MAPT
SCHEMBL7332731 0.78 CYP2A6 (0.64) CYP2A6CA2ERN1SMN1; SMN2MAPT
SCHEMBL3682441 0.76 CYP2A6 (0.62) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL29017448 0.74 CYP2A6 (0.64) CYP2A6KEAP1NFE2L2CA2SMN1; SMN2
SCHEMBL16619089 0.74 CYP2A6 (0.58) CYP2A6ERN1SMN1; SMN2MAPTLMNA
SCHEMBL20954428 0.74 CYP2A6 (0.58) CYP2A6CA2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111491935-B Novel analogs as modulators of androgen and glucocorticoid receptors 昂科斯特拉公司 2023-08-22 CN disclosed
EP-3707143-B9 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2023-04-12 EP disclosed
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-3707143-B1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE S L (ES) 2022-12-28 EP disclosed
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators ONCOSTELLAE, S.L. 2022-09-27 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP disclosed
WO-2021013978-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2021-01-28 WO disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 US disclosed
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS ONCOSTELLAE, S.L. (ES) 2020-10-15 US disclosed
EP-3707143-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS Oncostellae, S.L. (ES) 2020-09-16 EP disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed
EP-0117675-B1 BENZOFURAN AND BENZOTHIOPHENE-CARBOXYLIC-ACID DERIVATIVES BEECHAM GROUP PLC (GB) 1986-07-23 EP disclosed
US-4548948-A Anti-inflammatory and analgesic benzothiophene and benzafuran derivatives, compositions, and method of use therefor BEECHAM GROUP P.L.C. (GB) 1985-10-22 US disclosed
EP-0117675-A1 Benzofuran and benzothiophene-carboxylic-acid derivatives BEECHAM GROUP PLC (GB) 1984-09-05 EP 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 (5 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG CYP2A6 992/4885KEAP1 2359/4885NFE2L2 1811/4885
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC CYP2A6 548/4885KEAP1 2135/4885NFE2L2 1975/4885
US-20200325123-A1 NEW ANALOGS AS ANDROGEN RECEPTOR AND GLUCOCORTICOID RECEPTOR MODULATORS NR5A1, AR, NR3C1 CYP2A6 511/4885KEAP1 1836/4885NFE2L2 785/4885
US-11453660-B2 Androgen receptor and glucocorticoid receptor modulators AR, NR5A1, NR3C1 CYP2A6 445/4885KEAP1 1645/4885NFE2L2 580/4885
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 CYP2A6 2782/4885KEAP1 1800/4885NFE2L2 1524/4885

“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.