SCHEMBL6752575

SCHEMBL6752575

CC(C)Oc1cc(NC(=N)N)ccc1-c1ccc(-c2ccc(NC(=N)N)cc2OC(C)C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.40
RORC P51449 1/20 0.38
AAK1 Q2M2I8 12/20 0.38
CIT O14578 1/20 0.38
GAK O14976 1/20 0.38
PRKX P51817 1/20 0.38
PRKCQ Q04759 1/20 0.38
HASPIN Q8TF76 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
BMP2K Q9NSY1 1/20 0.38
GLA P06280 1/20 0.36
F2 P00734 2/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
KLKB1 P03952 2/20 0.35
PRSS1 P07477 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL14089892 0.85 AAK1 (0.44) AAK1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL3363887 0.83 AAK1 (0.44) AAK1MEN1ALDH1A1KMT2A
SCHEMBL6751883 0.81 AAK1 (0.46) SLC9A1RORCAAK1F2PRSS1
SCHEMBL14089909 0.80 MEN1 (0.42) AAK1MEN1ALDH1A1KMT2A
SCHEMBL6748327 0.77 ESR1 (0.50) AAK1MEN1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL3362652 0.76 ESR1 (0.49) AAK1MEN1ALDH1A1MAPK1KMT2A
SCHEMBL23566314 0.74 KDM4E (0.43) PRKCQCLK4MEN1ALDH1A1CYP1A2
SCHEMBL23566151 0.74 SLC9A1 (0.40) SLC9A1AAK1F2PLGPLAU
SCHEMBL14089894 0.74 ESR1 (0.50) MEN1ALDH1A1MAPK1KMT2AKDM4E
SCHEMBL23566152 0.74 IMPDH2 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706754-B2 ANTIPROTOZOA AGENTS, PARASITICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-03-16 US claimed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 US claimed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 WO claimed
US-6706754-B2 ANTIPROTOZOA AGENTS, PARASITICIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-03-16 US disclosed
US-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARMY, UNITED STATES 2002-10-24 US disclosed
WO-2002036588-A2 REVERSED AMIDINES AND METHODS OF USING FOR TREATING, PREVENTING, OR INHIBITING LEISHMANIASIS U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND (US) 2002-05-10 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-20020156098-A1 Reversed amidines and methods of using for treating, preventing, or inhibiting leishmaniasis ARG1, NAT1, CTSA SLC9A1 172/4885RORC 4123/4885AAK1 962/4885

“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.