SCHEMBL994682

SCHEMBL994682

BrC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
TSHR P16473 2/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TACR1 P25103 2/20 0.43
IDO1 P14902 1/20 0.43
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AGXT P21549 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL8742402 0.85 KMT2A (0.47) SLC6A2SLC6A3MEN1CYP1A2CYP2C19
SCHEMBL6830505 0.84 TSHR (0.50) SLC6A2SLC6A4SLC6A3TSHRTACR1
SCHEMBL28631602 0.79 TSHR (0.52) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL790660 0.78 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL29277743 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL29277741 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL11100946 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL10431978 0.77 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL360511 0.76 TSHR (0.48) SLC6A2SLC6A4SLC6A3TSHRIDO1
SCHEMBL7563457 0.76 L3MBTL1 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890896-B Dendritic (methyl) acrylic ester monomer and preparation method and application thereof 中国科学院理化技术研究所 2023-07-07 CN disclosed
CN-114890896-A Dendritic (methyl) acrylate monomer and preparation method and application thereof 中国科学院理化技术研究所 2022-08-12 CN disclosed
EP-3103791-B1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2018-01-31 EP disclosed
CN-101610995-B Glucagon receptor antagonists 症变治疗公司 2017-08-08 CN disclosed
EP-3103791-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-12-14 EP disclosed
CN-102838460-B Skin whitening (blast) series of compounds 尤尼根公司 2016-08-03 CN disclosed
EP-2170076-B1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9096559-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-08-04 US disclosed
US-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
US-8389553-B2 4-carboxybenzylamino derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-03-05 US disclosed
WO-2000049022-A2 ORGANOSILICON COMPOUNDS AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2000-08-24 WO disclosed
WO-2000025788-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-05-11 WO disclosed
WO-2000014083-A1 SUBSTITUTED η-PHENYL-Δ-LACTONES AND ANALOGS THEREOF AND USES RELATED THERETO INFLAZYME PHARMACEUTICALS LTD. (CA) 2000-03-16 WO disclosed
EP-0958293-A1 NANOMOLAR, NON-PEPTIDE INHIBITORS OF CATHEPSIN D THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-24 EP disclosed
WO-1998033795-A1 NANOMOLAR, NON-PEPTIDE INHIBITORS OF CATHEPSIN D THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-08-06 WO disclosed
US-5733882-A Retroviral protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1998-03-31 US disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed
CN-1077192-A The 2-oxoquinoline derivatives MERCK PATENT GMBH (DE) 1993-10-13 CN disclosed
EP-0487270-A2 HIV protease inhibitors having polyether substituents MERCK & CO. INC. (US) 1992-05-27 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 (1 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-20130137690-A1 4-CARBOXYBENZYLAMINO DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC4, HDAC5 SLC6A2 3814/4885SLC6A4 3283/4885SLC6A3 3824/4885

“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.