SCHEMBL73490

SCHEMBL73490

O=C(CBr)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 1.00
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
PTPN1 P18031 3/20 0.55
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD11B1 P28845 1/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 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
SCHEMBL7369237 0.94 GSK3B (0.89) GSK3BCES1CA1CA2TDP1
Methylsulfanylmethane SCHEMBL28782214 0.94 GSK3B (0.89) GSK3BCES1CA1CA2TDP1
SCHEMBL40529 0.90 GSK3B (0.81) GSK3BCES1CA1CA2TDP1
Acetonitrile SCHEMBL27927677 0.90 GSK3B (0.81) GSK3BCES1CA1CA2TDP1
SCHEMBL298658 0.86 GSK3B (0.73) GSK3BTDP1ALDH1A1LMNA
SCHEMBL18045554 0.85 GSK3B (0.73) GSK3BCES1CA1CA2TDP1
SCHEMBL240086 0.83 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
Phenylacetaldehyde SCHEMBL11036118 0.83 GSK3B (0.69) GSK3BCES1TDP1ALDH1A1MAPK1
Hydrochlorthiazide SCHEMBL4937016 0.82 GSK3B (0.68) GSK3BCES1CA1CA2TDP1

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 1443 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116262673-B Preparation method of alpha-bromoacetophenone compound 浙江工业大学 2025-04-29 CN claimed
CN-119661534-A Matrine aminothiazole derivative and preparation method and application thereof 南京林业大学 2025-03-21 CN claimed
CN-115557865-B Thioether-promoted cysteine-based bioconjugate method 南京工业大学 2024-05-14 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
CN-117447490-A Fluorescent probe with AIE (AIE) property, preparation method thereof and application of fluorescent probe in Al 3+ Application in recognition 阜阳师范大学 2024-01-26 CN claimed
CN-117343068-A Preparation method of FGFR2 inhibitor Lirafugatinib (RLY-4008) 上海相辉医药科技有限公司 2024-01-05 CN claimed
EP-3958980-B1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER ANADOLU UNIV (TR) 2023-11-15 EP claimed
CN-116179612-A Method for efficiently catalyzing and synthesizing active VD3 through multienzyme coupling 浙江中淬生物科技有限公司 2023-05-30 CN claimed
CN-115557865-A Thioether-promoted cysteine-based bioconjugation method 南京工业大学 2023-01-03 CN claimed
EP-3958980-A1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER Anadolu Universitesi (TR) 2022-03-02 EP claimed
WO-2006113367-A2 METHODS, COMPOUNDS AND COMPOSITIONS WITH GENOTYPE SELECTIVE ANTICANCER ACTIVITY TGEN (US) 2006-10-26 WO claimed
CN-1765503-A Quarternary ammonium salt of quinine compound, its preparation method and use NANJING UNIVERSITY OF TECHNOLOGY (CN) 2006-05-03 CN claimed
US-20020061895-A1 6-fluoro-1,4-dihydro-7-[4-(2-hydroxyiminoethyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions PHARMACEUTICAL INDUSTRY TECHNOLOGY 2002-05-23 US claimed
US-6369237-B1 ENZYME INHIBITORS OF DNA GLYCOLASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-04-09 US claimed
WO-1998039334-A9 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO 1999-02-18 WO claimed
WO-1998039334-A1 DNA GLYCOSYLASE INHIBITORS, AND USES RELATED THERETO PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-09-11 WO claimed
EP-0542836-B1 POLYMERIZATION OF SELECTED VINYL MONOMERS DU PONT (US) 1995-11-29 EP claimed
EP-0542836-A1 POLYMERIZATION OF SELECTED VINYL MONOMERS. DU PONT (US) 1993-05-26 EP claimed
WO-1992002562-A1 POLYMERIZATION OF SELECTED VINYL MONOMERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-20 WO claimed
US-5086137-A Polymerization of acrylic acids, esters and/or chloroprene using a diazoats or cyanate catalyst and a halogenated nitrile , ester or ketone activator E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-04 US claimed

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-20020061895-A1 6-fluoro-1,4-dihydro-7-[4-(2-hydroxyiminoethyl)-1-piperazinyl]-4-oxoquinoline-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions ATP6V1B1, GLS, RCC2 GSK3B 4073/4885CES1 1802/4885CA1 4597/4885

“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.