SCHEMBL5855074

SCHEMBL5855074

Brc1ccccc1CSCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
CYP2A13 Q16696 1/20 0.39
LMNA P02545 1/20 0.38
PYCR1 P32322 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL1146055 0.80 TAAR1 (0.47) TAAR1IDO1CYP1A2CYP2C19HPGD
SCHEMBL1146052 0.80 TAAR1 (0.46) TAAR1IDO1CYP1A2CYP2C19HPGD
SCHEMBL10665398 0.80 TAAR1 (0.52) TAAR1IDO1CYP1A2HPGDKDM4E
SCHEMBL12433151 0.80 HPGD (0.55) TAAR1IDO1CYP1A2HPGDKDM4E
SCHEMBL31643340 0.80 CYP1A2 (0.60) CYP1A2HPGDKDM4ETDP1ALDH1A1
SCHEMBL12433153 0.80 CYP1A2 (0.60) CYP1A2HPGDKDM4ETDP1ALDH1A1
SCHEMBL10661344 0.78 IDO1 (0.48) TAAR1IDO1CYP1A2CYP2C19HPGD
SCHEMBL31643367 0.78 HPGD (0.54) CYP1A2CYP2C9CYP2C19HPGDKDM4E
SCHEMBL23232393 0.77 CYP2C19 (0.61) CYP1A2CYP2C19HPGDKDM4ETDP1
SCHEMBL20738269 0.77 CYP1A1 (0.45) TAAR1IDO1CYP1A2HPGDKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118064908-A Method for realizing efficient and green electrocatalytic thioether oxidation through tetraminocobalt complex 大连理工大学 2024-05-24 CN disclosed
CN-115141814-B Application of 4-hydroxyacetophenone monooxygenase 江南大学 2023-05-05 CN disclosed
CN-112480136-B Heteroatom-bridged carbazole derivatives and uses thereof 北京八亿时空液晶科技股份有限公司 2022-12-13 CN disclosed
CN-112321469-B Synthetic method of dibenzyl sulfide 成都理工大学 2022-07-12 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-114522732-A Preparation and application of chiral titanium-oxygen cluster capable of serving as chiral construction unit 中南大学 2022-05-24 CN disclosed
CN-112480136-A Heteroatom-bridged carbazole derivatives and uses thereof 北京八亿时空液晶科技股份有限公司 2021-03-12 CN disclosed
CN-112321469-A Synthetic method of dibenzyl sulfide 成都理工大学 2021-02-05 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
US-7022689-B2 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-04-04 US disclosed
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PAHRMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
EP-1415983-A1 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 EP disclosed
US-4783562-A Process for the preparation of trichloromethyl-substituted aromatic compounds, and trichloromethyl-substituted aromatic compounds obtained in this process BAYER AKTIENGESELLSCHAFT (DE) 1988-11-08 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 (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-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor F11, F2, F7 TAAR1 4620/4885IDO1 2756/4885CYP1A2 936/4885

“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.