Sugi Predict

Sugi Predict / Compounds / SCHEMBL457004

SCHEMBL457004

SCHEMBL457004

Clc1cc(-c2ccccc2)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ AHR P35869 1/20 0.44
▸ ALOX5 P09917 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ PTBP1 P26599 1/20 0.41

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
SCHEMBL23182448 1.00 ESR2 (0.57) ESR2ALDH1A1MAPK1CYP1A2CRHBP
SCHEMBL31501777 0.82 MEN1 (0.46) ESR2ALDH1A1MAPK1CYP1A2MEN1
SCHEMBL30969415 0.82 MEN1 (0.46) ESR2ALDH1A1MAPK1CYP1A2MEN1
SCHEMBL29921215 0.82 ESR2 (0.52) ESR2ALDH1A1MAPK1CYP1A2CRHBP
SCHEMBL457778 0.82 ESR2 (0.52) ESR2ALDH1A1MAPK1CYP1A2CRHBP
SCHEMBL31603808 0.81 ESR1 (0.48) ESR2ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL28087068 0.80 ESR2 (0.59) ESR2MEN1KMT2AAHRALOX5
SCHEMBL23182450 0.80 AKR1C2 (0.43) ESR2ALDH1A1MAPK1MEN1LMNA
SCHEMBL27403956 0.78 CRHBP (0.56) ESR2ALDH1A1MAPK1CYP1A2CRHBP
SCHEMBL1443418 0.78 AHR (0.74) ESR2ALDH1A1CYP1A2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073420-A Preparation method of 2-phenylbenzothiophene derivative 陕西维世诺新材料有限公司 2022-09-20 — — CN claimed
CN-117683033-B Substituted alkynyl heterocyclic compounds Capital Pharmaceutical Holdings (Beijing) Co.,Ltd. (CN) 2026-05-26 — — CN disclosed
WO-2025110612-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2025-05-30 — — WO disclosed
WO-2025110864-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2025-05-30 — — WO disclosed
CN-113880842-B Substituted alkynyl heterocyclic compounds 首药控股(北京)股份有限公司 2025-02-25 — — CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
CN-113004282-B Substituted alkynyl heterocyclic compounds 首药控股(北京)股份有限公司 2024-05-24 — — CN disclosed
CN-117683033-A Substituted alkynyl heterocyclic compounds 首药控股(北京)股份有限公司 2024-03-12 — — CN disclosed
CN-115745932-A Compound for organic photoelectric device, organic photoelectric device and display device 三星SDI株式会社 2023-03-07 — — CN disclosed
US-20230048904-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-02-16 — — US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 — — WO disclosed
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 — — US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 — — US disclosed
CN-101203501-A As 5HT2CDihydrobenzofuranyl alkylamine derivatives as agonists WYETH CORP (US) 2008-06-18 — — CN disclosed
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 — — EP disclosed
CN-1997635-A Dihydrobenzofuranyl alkanamine derivatives as 5HT2C agonists WYETH CORP (US) 2007-07-11 — — CN disclosed
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 — — EP disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 — — US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 — — US disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 — — 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 (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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A ESR2 1449/4885ALDH1A1 190/4885MAPK1 1381/4885
US-20230048904-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM ESR2 449/4885ALDH1A1 33/4885MAPK1 425/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A ESR2 1449/4885ALDH1A1 190/4885MAPK1 1381/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A ESR2 618/4885ALDH1A1 283/4885MAPK1 3097/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ESR2 1708/4885ALDH1A1 4472/4885MAPK1 3478/4885

“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.