SCHEMBL4062201

SCHEMBL4062201

O=Cc1cc(Br)cc(O)c1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.69
PIM1 P11309 1/20 0.42
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 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
SCHEMBL30689083 1.00 ERN1 (0.69) ERN1PIM1CYP3A4TSHRTDP1
SCHEMBL544809 0.88 ERN1 (0.78) ERN1PIM1CYP3A4TSHRTDP1
SCHEMBL411126 0.83 ERN1 (0.64) ERN1
SCHEMBL29384871 0.83 ERN1 (0.64) ERN1
SCHEMBL2120180 0.82 ERN1 (1.00) ERN1CYP3A4TSHRTDP1
SCHEMBL29371317 0.82 ERN1 (1.00) ERN1CYP3A4TSHRTDP1
SCHEMBL12957472 0.78 ERN1 (0.53) ERN1TRIM24TRIM33
SCHEMBL5642991 0.78 ERN1 (0.64) ERN1TDP1
SCHEMBL6679053 0.78 ERN1 (0.64) ERN1PIM1CYP3A4TSHRTDP1
SCHEMBL29743732 0.78 ERN1 (0.64) ERN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025124544-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药研究院(深圳)有限公司 2025-06-19 WO disclosed
CN-117233299-A Method for detecting halogenated polyphenol in drinking water by solid phase extraction-vacuum centrifugal concentration-liquid chromatography tandem mass spectrometry 浙江大学 2023-12-15 CN disclosed
WO-2023040686-A1 PYRIDAZINONE COMPOUND, PREPARATION METHOD, HERBICIDE COMPOSITION AND USE THEREOF 江苏中旗科技股份有限公司 2023-03-23 WO disclosed
CN-108069929-B 3-substituted coumarin derivative and application thereof, and GPR35 receptor agonist 中国科学院大连化学物理研究所 2021-06-15 CN disclosed
CN-108727176-B Method for preparing 5-halogen-2, 3-dihydroxy benzaldehyde 荆楚理工学院 2021-05-18 CN disclosed
WO-2012106534-A2 HIV INTEGRASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-09 WO disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
US-8198302-B2 Anticancer agent having a quinone, quinone prodrug, catechol or catechol prodrug moiety; free of combretastatin A-1 OXIGENE, INC. (US) 2012-06-12 US disclosed
EP-1644337-B1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF ORE PHARMACEUTICALS INC (US) 2009-07-22 EP disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2003-04-17 US disclosed
US-6545150-B2 Preparing 1,1-dioxo-2-phenyl-3-carboxy-4-phenyl-1,2-benzo(e)-thiazines by a five-step process starting with a (2-(methyl-oxycarbonyl-)phenyl-sulfonamido-)benzene; alkylation; cyclization; hydroxylation; esterification and coupling WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
US-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2002-07-18 US disclosed
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2001-11-01 US disclosed
US-6265399-B1 ALKYLATION; CYCLIZATION WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6252070-B1 REACTING ARYL BROMIDE WITH BUTYLLITHIUM AND ZINC BROMIDE TO GIVE ARYL ZINC BROMIDE; REACTING WITH CORRESPONDING BENZOTHIAZINE COMPOUND WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
EP-1009743-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 2000-06-21 EP disclosed
WO-1999012916-A1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER-LAMBERT COMPANY (US) 1999-03-18 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 (4 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-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB ERN1 1288/4885PIM1 1227/4885CYP3A4 2670/4885
US-20010036944-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB ERN1 1288/4885PIM1 1227/4885CYP3A4 2670/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R ERN1 4855/4885PIM1 4555/4885CYP3A4 1470/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB ERN1 1288/4885PIM1 1227/4885CYP3A4 2670/4885

“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.