SCHEMBL6712751

SCHEMBL6712751

CC(Cl)Oc1ccc(O)c2sc3ccccc3c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOA P21397 4/20 0.43
MAOB P27338 3/20 0.43
ALDH1A1 P00352 5/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 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
SCHEMBL5218956 0.78 MAOA (0.57) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL5217094 0.78 MAOA (0.46) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL8078642 0.77 MAPT (0.57) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL1615170 0.76 MAOB (0.51) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL2126343 0.76 MAOA (0.51) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL5216775 0.74 MAOA (0.40) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL5220041 0.73 MAOA (0.45) MAPTRAB9ACYP1A2CYP3A4MAOA
SCHEMBL2762900 0.73 MAOA (0.51) MAPTRAB9ANPC1CYP1A2CYP3A4
SCHEMBL5222634 0.72 MAOA (0.41) MAPTRAB9ACYP1A2CYP3A4MAOA
SCHEMBL1614833 0.72 MAPT (0.45) MAPTRAB9ANPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1723206-B High specificity anticancer pharmacological drug system, drug synthesis and drug formulation development method WALKER CANCER RES INST INC 2010-05-26 CN claimed
CN-1723206-A High specificity anticancer pharmacological drug system, drug synthesis and drug formulation development method WALKER CANCER RES INST INC (US) 2006-01-18 CN 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
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 MAPT 2527/4885RAB9A 2148/4885NPC1 1557/4885

“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.