SCHEMBL5220466

SCHEMBL5220466

CC(C)(C)[Si](C)(C)Oc1ccc(OCCN(CCCl)CCCl)c2c(=O)c3ccccc3sc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.37
MAOA P21397 11/20 0.35
MAPT P10636 3/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
CHRM1 P11229 2/20 0.35
TBXA2R P21731 2/20 0.35
SLC6A2 P23975 2/20 0.35
APEX1 P27695 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
APP P05067 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD1 P21728 1/20 0.35

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
SCHEMBL5216106 0.81 MAPT (0.34) PRKDCMAOAMAPTCHRM2HTR1A
SCHEMBL5222634 0.81 MAOA (0.41) MAOAMAPTCHRM2HTR1AADRA2A
SCHEMBL5220041 0.73 MAOA (0.45) PRKDCMAOAMAPTCHRM2HTR1A
SCHEMBL12455625 0.70 MAPT (0.49) MAOAMAPTCHRM2HTR1AADRA2A
SCHEMBL5217094 0.69 MAOA (0.46) MAOAMAPTCYP1A2CYP3A4RAB9A
SCHEMBL4542129 0.68 MAPT (0.41) MAOAMAPTCYP1A2CYP3A4RAB9A
SCHEMBL12455795 0.67 MAPT (0.46) MAOAMAPTCHRM2HTR1AADRA2A
SCHEMBL4539472 0.66 MAOA (0.42) MAOAMAPTCHRM2HTR1AADRA2A
SCHEMBL30549323 0.66 MAOA (0.42) MAOAMAPTCHRM2HTR1AADRA2A
SCHEMBL108341 0.65 MAPT (0.43) MAOAMAPTCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572676-A4 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RES INST INC (US) 2007-07-25 EP claimed
EP-1572676-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS Walker Cancer Research Institute, Inc. (US) 2005-09-14 EP claimed
US-6767919-B2 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG WALKER CANCER RESEARCH INSTITUTE, INC. 2004-07-27 US claimed
WO-2004058143-A2 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. (US) 2004-07-15 WO claimed
US-20040116508-A1 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. 2004-06-17 US claimed
US-20040192578-A1 High specificity anticancer drug design process WALKER EVAN HARRIS (US) 2004-09-30 US disclosed
US-6767919-B2 1-(N,N-DIALKYLAMINOALKYL)-4-SILYLOXYTHIOXANTHONE DERIVATIVES; ADMINISTERED IN NONTOXIC, PROTO-DRUG FORM; TIME DELAY ALLOWS FOR DIFFERENTIAL CONCENTRATION IN TARGET TISSUES OR CELLS; ACTIVATED BY DRUG WALKER CANCER RESEARCH INSTITUTE, INC. 2004-07-27 US disclosed
US-20040116508-A1 HIGH SPECIFICITY ANTICANCER PHARMACOLOGICAL DRUG SYSTEM, DRUG SYNTHESIS, AND DRUG DEVELOPMENT PROCESS WALKER CANCER RESEARCH INSTITUTE, INC. 2004-06-17 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 (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-20040192578-A1 High specificity anticancer drug design process MCL1, ABCG2, TP53 PRKDC 100/4885MAOA 4521/4885MAPT 2527/4885

“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.