SCHEMBL5658763

SCHEMBL5658763

BrCCCN1CCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
USP2 O75604 1/20 0.58
CDK4 P11802 1/20 0.58
ALOX15 P16050 1/20 0.58
CCND1 P24385 1/20 0.58
CHRM2 P08172 11/20 0.55
CHRM4 P08173 11/20 0.55
CHRM1 P11229 11/20 0.55
CHRM3 P20309 11/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
PARP2 Q9UGN5 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL30503814 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL11784633 0.90 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5660958 0.90 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL20148244 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7951597 0.86 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5638347 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL30433983 0.83 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL18263330 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL6882714 0.83 ALDH1A1 (0.79) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL19908414 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AUSP2CDK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478133-B Thioimidazoline derivative, preparation method thereof and application thereof in pharmacy 南京市第一医院 2023-11-03 CN claimed
CN-116478133-A Thioimidazoline derivative, preparation method thereof and application thereof in pharmacy 南京市第一医院 2023-07-25 CN claimed
CN-116478133-B Thioimidazoline derivative, preparation method thereof and application thereof in pharmacy 南京市第一医院 2023-11-03 CN disclosed
CN-116478133-A Thioimidazoline derivative, preparation method thereof and application thereof in pharmacy 南京市第一医院 2023-07-25 CN disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 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 (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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 ALDH1A1 2751/4885MEN1 2604/4885KMT2A 3018/4885

“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.