SCHEMBL166429

SCHEMBL166429

O=C(CBr)c1ccccc1F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
ALDH1A1 P00352 2/20 0.54
ALOX15 P16050 1/20 0.54
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
GSK3B P49841 2/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KAT6A Q92794 2/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL29844777 1.00 PTPN1 (0.58) PTPN1ERCC5FEN1CES2CES1
SCHEMBL9409754 0.84 PTPN1 (0.65) PTPN1CES1ALDH1A1ALOX15GSK3B
SCHEMBL1743414 0.83 CES2 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30956741 0.83 CES2 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL20508992 0.82 PTPN1 (0.74) PTPN1ERCC5FEN1CES2CES1
SCHEMBL30089515 0.82 CTNNB1 (0.68) PTPN1ERCC5FEN1CES2CES1
SCHEMBL31298304 0.82 PTPN1 (0.50) PTPN1ERCC5FEN1CES2CES1
SCHEMBL31444508 0.80 PTPN1 (0.49) PTPN1ERCC5FEN1CES2CES1
SCHEMBL14732971 0.80 CTNNB1 (0.61) PTPN1ERCC5FEN1CES2CES1
SCHEMBL8343202 0.80 CES2 (0.60) PTPN1ERCC5FEN1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069695-B Potassium ion competitive acid retarder solid free form and preparation method thereof 南京道尔医药研究院有限公司 2024-04-26 CN claimed
CN-117030876-A Method for detecting related substances of Fu Nuola raw starting material of fumaric acid 山东新华制药股份有限公司 2023-11-10 CN claimed
CN-116003260-B Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof 广州国家实验室 2023-07-18 CN claimed
CN-116003260-A Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof 广州国家实验室 2023-04-25 CN claimed
CN-109232537-B Preparation method of Vonoprazan 迪嘉药业集团有限公司 2021-03-26 CN claimed
CN-105622534-A Heterocyclic imide derivative containing bisamide structure and preparation method and application thereof HUBEI BIOPESTICIDE ENG RES CENTER 2016-06-01 CN claimed
CN-105040400-A Improved cashmere oxidation-reduction bleaching method NINGXIA ZHONGYIN CASHMERE CO LTD 2015-11-11 CN claimed
EP-3829559-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2026-05-13 EP disclosed
US-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition TAIWANJ PHARMACEUTICALS CO LTD (TW) 2026-03-26 US disclosed
US-20250283038-A1 COMPOUNDS INDUCING PRODUCTION OF PROTEINS BY IMMUNE CELLS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-09-11 US disclosed
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
CN-117285411-B Preparation method of 2' -bromo-o-fluoro acetophenone 扬州市普林斯医药科技有限公司 2025-03-04 CN disclosed
EP-4511027-A1 COMPOUNDS INDUCING PRODUCTION OF PROTEINS BY IMMUNE CELLS Université Paris Cité (FR) 2025-02-26 EP disclosed
EP-0007716-A1 R-N-(2-phenyl-2-hydroxyethyl)-3-phenylpropyl amines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-02-06 EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed
EP-0006766-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-09 EP disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP disclosed
US-4153619-A MICROBIOCIDES RIKER LABORATORIES, INC. (US) 1979-05-08 US disclosed
US-4124704-A ANTIMICROBIAL RIKER LABORATORIES, INC. (US) 1978-11-07 US disclosed
US-3965181-A Tricyclic pharmacological agents, intermediates and methods of making SYNTEX (U.S.A.) INC. (US) 1976-06-22 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 (3 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-20260085046-A1 Dual Function Compounds For NADPH Oxidase Inhibition And Histone Deacetylase Inhibition NOX1, NOX4, CYBB PTPN1 560/4885ERCC5 2843/4885FEN1 1958/4885
US-12331044-B2 Inhibitors of histone deacetylase useful for the treatment or prevention of HIV infection HDAC1, HDAC11, HDAC10 PTPN1 3249/4885ERCC5 3648/4885FEN1 1687/4885
US-20250283038-A1 COMPOUNDS INDUCING PRODUCTION OF PROTEINS BY IMMUNE CELLS CXCL10, IL2, IFNG PTPN1 3497/4885ERCC5 3533/4885FEN1 4385/4885

“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.