SCHEMBL1821573

SCHEMBL1821573

COc1ccc(-c2csc(N)n2)c(OC)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.75
▸ CYP1B1 Q16678 6/20 0.75
▸ MAPT P10636 5/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ NFKB2 Q00653 2/20 0.64
▸ RELA Q04206 2/20 0.64
▸ ATM Q13315 1/20 0.64
▸ KDM4E B2RXH2 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ ALDH1A1 P00352 5/20 0.59
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 1/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2E1 P05181 1/20 0.56

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
SCHEMBL30557661 1.00 CYP1A1 (0.75) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL30641473 0.88 ALDH1A1 (0.71) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL5327111 0.88 ALDH1A1 (0.71) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL23743244 0.86 CYP1A1 (1.00) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL12248758 0.84 ALDH1A1 (0.58) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL19627005 0.84 CYP1A1 (0.75) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL18424942 0.83 HSP90AA1 (0.61) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL21484609 0.83 MPL (0.58) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL7228762 0.81 ALDH1A1 (0.62) CYP1A1CYP1B1MAPTNPC1RAB9A
SCHEMBL19625330 0.81 CYP1A1 (0.69) CYP1A1CYP1B1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729513-A1 A-KETO ACID AMIDE OR SUBSTITUTED OXALIC ACID AMIDE ESTER COMPOUND AND COMPOSITION THEREOF Nanjing Chempion Biotechnology Co., Ltd. (CN) 2026-04-22 — — EP disclosed
WO-2025001687-A1 Α-KETO ACID AMIDE OR SUBSTITUTED OXALIC ACID AMIDE ESTER COMPOUND AND COMPOSITION THEREOF 南京桦冠生物技术有限公司 2025-01-02 — — WO disclosed
CN-117820251-B Bis-alpha-keto acid amide compound and composition thereof 南京桦冠生物技术有限公司 2024-05-03 — — CN disclosed
CN-117820251-A Bis-alpha-keto acid amide compound and composition thereof 南京桦冠生物技术有限公司 2024-04-05 — — CN disclosed
CN-116554122-B Alpha-keto acid amide or substituted oxalic acid amide ester compound and composition thereof 南京桦冠生物技术有限公司 2023-09-19 — — CN disclosed
CN-116554122-A Alpha-keto acid amide or substituted oxalic acid amide ester compound and composition thereof 南京桦冠生物技术有限公司 2023-08-08 — — CN disclosed
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 — — US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 — — US disclosed
EP-2785714-B1 IMPROVED MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR TAIVEX THERAPEUTICS CORP (TW) 2018-11-21 — — EP disclosed
US-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR DEVELOPMENT CENTER OF BIOTECHNOLOGY (TW) 2018-11-08 — — US disclosed
US-20070299113-A1 Metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 — — US disclosed
WO-2007148113-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-12-27 — — WO disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — WO disclosed
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-11-11 — — US disclosed
WO-2004075864-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-10 — — WO disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 — — US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 — — WO disclosed
US-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 — — US disclosed
EP-0044442-A1 N-(4-Phenyl-2-thiazolyl)-oxamidic-acid-2-ethoxyethylester, process for its preparation and pharmaceutical compositions containing this compound BASF Aktiengesellschaft (DE) 1982-01-27 — — EP disclosed
US-4207233-A Azo dyes containing a thiazole component BASF AKTIENGESELLSCHAFT (DE) 1980-06-10 — — US 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 (6 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-20180318310-A1 MODULATORS OF HEC1 ACTIVITY AND METHODS THEREFOR WEE1, WEE2, NEK11 CYP1A1 3526/4885CYP1B1 3086/4885MAPT 2904/4885
US-20070299113-A1 Metabotropic glutamate receptor modulators GRM1, GRM2, GRM3 CYP1A1 3822/4885CYP1B1 4177/4885MAPT 794/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 CYP1A1 2680/4885CYP1B1 2412/4885MAPT 1179/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP1A1 3526/4885CYP1B1 3086/4885MAPT 2904/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CYP1A1 3526/4885CYP1B1 3086/4885MAPT 2904/4885
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R CYP1A1 269/4885CYP1B1 342/4885MAPT 153/4885

“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.

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