SCHEMBL227355

SCHEMBL227355

Cc1ccc(C(=O)CBr)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 1.00
PTPN1 P18031 6/20 0.64
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50

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
Methylsulfanylmethane SCHEMBL28782225 0.94 GSK3B (0.88) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL8213015 0.94 GSK3B (0.88) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL205280 0.87 GSK3B (0.80) GSK3BPTPN1NPC1RAB9A
SCHEMBL10120374 0.85 GSK3B (0.73) GSK3BPTPN1NPC1RAB9AKMT2A
Phenacyl Chloride SCHEMBL28106866 0.84 GSK3B (0.70) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL11599481 0.83 GSK3B (0.70) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL8107659 0.82 GSK3B (0.68) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL25031526 0.82 GSK3B (0.69) GSK3BPTPN1NPC1RAB9AKMT2A
SCHEMBL15199328 0.82 GSK3B (0.69) GSK3BNPC1RAB9AKMT2AMEN1
Benzonitrile SCHEMBL28107145 0.81 GSK3B (0.70) GSK3BPTPN1NPC1RAB9AKMT2A

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 1438 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930621-A Fungus-inhibiting matrine hydrazine thiazole derivative and preparation method and application thereof 南京林业大学 2025-05-06 CN claimed
CN-118930487-A 1,3, 5-Trisubstituted pyrazole compound and preparation method thereof 赣南师范大学 2024-11-12 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
EP-3958980-B1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER ANADOLU UNIV (TR) 2023-11-15 EP claimed
CN-116396245-A Pleuromutilin derivatives and process for preparing same 西北工业大学宁波研究院 2023-07-07 CN claimed
CN-115557865-A Thioether-promoted cysteine-based bioconjugation method 南京工业大学 2023-01-03 CN claimed
CN-114989175-A Imidazopyrazine-containing compound and application thereof 佛山市晨康生物科技有限公司 2022-09-02 CN claimed
EP-3958980-A1 TARGETED NOVEL TRIAZOLOTHIADIAZINE DERIVATIVES FOR THE TREATMENT OF LUNG CANCER Anadolu Universitesi (TR) 2022-03-02 EP 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
US-20080293947-A1 Method of Preparation for Imidazolepyridines MALLINCKRODT INC. 2008-11-27 US claimed
EP-1966201-A1 IMPROVED METHOD OF PREPARATION FOR IMIDAZOLEPYRIDINES Mallinckrodt, Inc. (US) 2008-09-10 EP claimed
WO-2007064444-A1 IMPROVED METHOD OF PREPARATION FOR IMIDAZOLEPYRIDINES MALLINCKRODT INC. (US) 2007-06-07 WO claimed
JP-2006507350-A 2006-03-02 JP claimed
CN-1741802-A Propargyl-trifluoromethoxy-amino-benzothiazole derivatives TEVA PHARMA (IL) 2006-03-01 CN claimed
EP-1569641-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES Teva Pharmaceutical Industries Limited (IL) 2005-09-07 EP claimed
US-20040176430-A1 Propargyl-trifluoromethoxy-amino-benzothiazole derivatives TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-09-09 US claimed
WO-2004047756-A2 PROPARGYL-TRIFLUOROMETHOXY-AMINO-BENZOTHIAZOLE DERIVATIVES TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-06-10 WO claimed
US-3994772-A KLEBSIELLA, A-BROMO-P-METHYLACETOPHENONE, 1,3-DICHLOROACETONE OXIME ACETATE BETZ LABORATORIES, INC. (US) 1976-11-30 US claimed
US-3989585-A Synergistic compositions containing α-bromo-p-methylacetophenone and bis(trichloromethyl) sulfone and their use as slimicides BETZ LABORATORIES, INC. (US) 1976-11-02 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 (2 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-20080293947-A1 Method of Preparation for Imidazolepyridines ITPA, QDPR, NISCH GSK3B 4451/4885PTPN1 3183/4885NPC1 4098/4885
US-20040176430-A1 Propargyl-trifluoromethoxy-amino-benzothiazole derivatives CLIC1, CCR1, CCR4 GSK3B 3302/4885PTPN1 640/4885NPC1 289/4885

“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.