SCHEMBL5863303

SCHEMBL5863303

O=C(O)C1(CCCCBr)c2ccccc2Sc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 2/20 0.35
BCHE P06276 7/20 0.34
ACHE P22303 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
PTPN1 P18031 2/20 0.33
GSK3B P49841 2/20 0.33
CYBB P04839 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
SNCA P37840 1/20 0.33
NOX3 Q9HBY0 1/20 0.33
NOX4 Q9NPH5 1/20 0.33
LMNA P02545 1/20 0.33
ADRB3 P13945 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL5863723 0.83 THRB (0.46) PTPN1GSK3BAPEX1THRBTDP1
Hydrochloric Acid SCHEMBL6777668 0.81 THRB (0.44) PTPN1GSK3BAPEX1THRBTDP1
SCHEMBL6766394 0.79 P2RX4 (0.34) PTPN1GSK3BHTR2AAPEX1THRB
SCHEMBL5863586 0.78 MTTP (0.48) SLC6A3
Hydrochloric Acid SCHEMBL6766830 0.78 ALOX5 (0.33) PTPN1GSK3BHTR2AAPEX1THRB
Propionamide SCHEMBL27574379 0.74 THRB (0.38) KMT2AAPEX1THRBTDP1
SCHEMBL5863624 0.74 ALOX5 (0.35) PTPN1GSK3BHTR2AAPEX1THRB
SCHEMBL17742236 0.73 THRB (0.53) KMT2AAPEX1THRBTDP1
SCHEMBL6777664 0.71 PDK2 (0.40) KMT2AGSK3BAPEX1THRBTDP1
SCHEMBL6777657 0.69 APEX1 (0.40) APEX1THRBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC CD69 4859/4885BCHE 99/4885ACHE 2005/4885

“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.