SCHEMBL6866025

SCHEMBL6866025

Cc1ccc(CNCCCCN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.55
CHRM2 P08172 2/20 0.53
PIM1 P11309 1/20 0.51
SLC22A1 O15245 1/20 0.49
PRNP P04156 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM4 P08173 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL14388989 0.84 KDM1A (0.62) KDM1ACHRM2PIM1SLC22A1PRNP
SCHEMBL6866023 0.82 CHRM2 (0.57) KDM1ACHRM2PIM1SLC22A1PRNP
SCHEMBL24980301 0.79 KDM1A (0.57) KDM1APIM1SIGMAR1LMNAMAPT
SCHEMBL4313288 0.77 ACHE (0.79) ACHE
SCHEMBL6749822 0.76 KDM1A (0.49) KDM1ACHRM2PIM1SLC22A1PRNP
SCHEMBL21467524 0.75 LMNA (0.60) KDM1ACHRM2SLC22A1PRNPTP53
SCHEMBL208025 0.74 PIM1 (0.79) KDM1ACHRM2PIM1SLC22A1PRNP
SCHEMBL15908366 0.74 DNM1 (0.57) CHRM2SLC22A1PRNPTP53CYP1A2
SCHEMBL13985121 0.72 ACHE (0.72) ACHE
SCHEMBL10052731 0.72 KDM1A (0.64) KDM1ACHRM2PIM1SLC22A1PRNP

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 KDM1A 1966/4885CHRM2 1561/4885PIM1 3659/4885

“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.