SCHEMBL5217094

SCHEMBL5217094

O=c1c2ccccc2sc2c(O)ccc(OCCCl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.46
MAOB P27338 12/20 0.46
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
ESR1 P03372 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
SCHEMBL5222634 0.89 MAOA (0.41) MAOAMAOBMAPTCYP1A2CYP3A4
SCHEMBL5220041 0.87 MAOA (0.45) MAOAMAOBMAPTCYP1A2CYP3A4
SCHEMBL5216775 0.83 MAOA (0.40) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL5218956 0.78 MAOA (0.57) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL6712751 0.78 MAPT (0.43) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL4542129 0.76 MAPT (0.41) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL1615170 0.76 MAOB (0.51) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL12455625 0.75 MAPT (0.49) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL31730228 0.75 NPC1 (0.48) MAOAMAOBMAPTNPC1CYP1A2
SCHEMBL1254776 0.75 NPC1 (0.48) MAOAMAOBMAPTNPC1CYP1A2

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 11 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
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 disclosed
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 disclosed
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
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 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 4377/4885MAPT 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.