SCHEMBL220588

SCHEMBL220588

O=C(CBr)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 1.00
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 2/20 0.61
HPGD P15428 2/20 0.61
GSK3B P49841 5/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 1/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL29411099 1.00 PTPN1 (1.00) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL11482012 0.92 PTPN1 (0.84) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL15114347 0.88 PTPN1 (0.78) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL8011026 0.85 PTPN1 (0.74) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL27529851 0.85 PTPN1 (0.73) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL4333412 0.84 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL1974978 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL29489791 0.83 PTPN1 (0.71) PTPN1CES2CES1SMN1; SMN2KDM4E
SCHEMBL203507 0.82 PTPN1 (0.70) PTPN1GSK3BCYP3A4
SCHEMBL4328129 0.82 PTPN1 (0.69) PTPN1SMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598780-A Aggregation-induced emission naphthyl benzenesulfonyl ethanone and preparation thereof 内蒙古工业大学 2024-09-06 CN claimed
CN-115368346-B 1, 4-benzodioxane-benzimidazole salt compound and synthesis method and application thereof 曲靖师范学院 2024-04-09 CN claimed
EP-3959200-B1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIV (TR) 2024-03-20 EP claimed
EP-3958980-B1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER ANADOLU UNIV (TR) 2023-11-15 EP claimed
CN-115368346-A 1, 4-benzodioxan-benzimidazole salt compound and synthesis method and application thereof 曲靖师范学院 2022-11-22 CN claimed
EP-3959200-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION Anadolu Universitesi (TR) 2022-03-02 EP claimed
WO-2022005414-A1 NEW TRIAZOLE AND TRIAZOLOTHIADIAZINE DERIVATIVES EXERTING CYTOTOXIC AND APOPTOTIC EFFECTS ON A549 CELLS THROUGH AKT INHIBITION ANADOLU UNIVERSITESI (TR) 2022-01-06 WO claimed
WO-2021257020-A1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER ANADOLU ÜNİVERSİTESİ (TR) 2021-12-23 WO claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US claimed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP claimed
EP-2280956-A2 PROCESSES FOR PREPARING TETRAHYDROISOQUINOLINES Bristol-Myers Squibb Company (US) 2011-02-09 EP claimed
US-4328356-A Process for preparing esters of arylacetic acids from alpha-halo-alkylarylketones MONTEDISON S.P.A. (IT) 1982-05-04 US claimed
JP-7159992-A None JP disclosed
JP-8006251-A None JP disclosed
EP-4446327-B1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2025-09-24 EP disclosed
US-4080506-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-21 US disclosed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 US disclosed
US-3979440-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-09-07 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-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND CYP51A1, KMO, TALDO1 PTPN1 4327/4885CES2 663/4885CES1 106/4885

“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.