SCHEMBL5222634

SCHEMBL5222634

O=c1c2ccccc2sc2c(O)ccc(OCCN(CCCl)CCCl)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 19/20 0.41
MAOB P27338 19/20 0.41
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
APEX1 P27695 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL5220041 0.89 MAOA (0.45) MAOAMAOBABCB11LMNATP53
SCHEMBL5217094 0.89 MAOA (0.46) MAOAMAOBLMNACYP1A2POLB
SCHEMBL5220466 0.81 PRKDC (0.37) MAOAMAOBABCB11LMNATP53
SCHEMBL5216775 0.77 MAOA (0.40) MAOAMAOBLMNACYP1A2POLB
SCHEMBL5218956 0.72 MAOA (0.57) MAOAMAOBABCB11LMNATP53
SCHEMBL6712751 0.72 MAPT (0.43) MAOAMAOBABCB11LMNATP53
SCHEMBL4539472 0.71 MAOA (0.42) MAOAMAOBABCB11LMNATP53
SCHEMBL30549323 0.71 MAOA (0.42) MAOAMAOBABCB11LMNATP53
SCHEMBL4542129 0.71 MAPT (0.41) MAOAMAOBLMNACYP1A2POLB
SCHEMBL1615170 0.70 MAOB (0.51) MAOAMAOBABCB11LMNATP53

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 MAOA 4521/4885MAOB 4377/4885ABCB11 1584/4885

“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.