SCHEMBL6864995

SCHEMBL6864995

CCN(CC)CCCCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
KDM1A O60341 8/20 0.65
SIGMAR1 Q99720 4/20 0.65
CYP1A2 P05177 4/20 0.65
CYP2D6 P10635 4/20 0.65
CYP2C19 P33261 3/20 0.65
CHRM2 P08172 3/20 0.65
CHRM4 P08173 3/20 0.65
HTR1A P08908 3/20 0.65
CHRM5 P08912 3/20 0.65
CHRM1 P11229 3/20 0.65
ADRA2C P18825 3/20 0.65
CHRM3 P20309 3/20 0.65
HRH2 P25021 3/20 0.65
HTR2A P28223 3/20 0.65
HTR2C P28335 3/20 0.65
HRH1 P35367 3/20 0.65
DRD3 P35462 3/20 0.65
HTR2B P41595 3/20 0.65
HIF1A Q16665 2/20 0.65

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
SCHEMBL4247663 0.95 CYP1A2 (0.71) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Diethazine SCHEMBL142924 0.89 POLB (0.83) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Diethazine SCHEMBL30592079 0.89 POLB (0.83) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Diethazine SCHEMBL142381 0.87 POLB (0.81) POLBKDM1ASIGMAR1CYP1A2CYP2D6
SCHEMBL13305247 0.86 CYP1A2 (0.73) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Diethazine SCHEMBL1650081 0.86 POLB (0.78) POLBKDM1ASIGMAR1CYP1A2CYP2D6
SCHEMBL6865346 0.84 CYP2D6 (0.90) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Chlorproethazine SCHEMBL149201 0.84 CYP1A2 (0.77) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Chlorproethazine SCHEMBL29818123 0.84 CYP1A2 (0.77) POLBKDM1ASIGMAR1CYP1A2CYP2D6
Chlorproethazine SCHEMBL9724486 0.83 LMNA (0.78) POLBKDM1ASIGMAR1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032801-A1 Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2003-02-13 US claimed
WO-2002089810-A1 CHEMOSENSITIZING AGENTS AGAINST CHLOROQUINE RESISTANT PLASMODIUM FALCIPARUM AND METHODS OF MAKING AND USING THEREOF UNITED STATES ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-11-14 WO claimed
US-6800618-B2 PHENOTHIAZINE OR IMINODIBENZYL DERIVATIVES AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-10-05 US disclosed
US-20030032801-A1 Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2003-02-13 US disclosed
WO-2002089810-A1 CHEMOSENSITIZING AGENTS AGAINST CHLOROQUINE RESISTANT PLASMODIUM FALCIPARUM AND METHODS OF MAKING AND USING THEREOF UNITED STATES ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-11-14 WO 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-20030032801-A1 Chemosensitizing agents against chloroquine resistant plasmodium falciparum and methods of making and using thereof ABCC1, SLC11A2, G6PD POLB 2523/4885KDM1A 1966/4885SIGMAR1 174/4885

“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.