SCHEMBL6747997

SCHEMBL6747997

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
SLC9A1 P19634 2/20 0.41
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TLR8 Q9NR97 1/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
STK17B O94768 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ESR1 P03372 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
CSNK2A1 P68400 2/20 0.33
ANPEP P15144 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3366607 0.80 IMPDH2 (0.61) IMPDH2IMPDH1SLC9A1ALDH1A1GAA
SCHEMBL6753659 0.76 MAPT (0.53) IMPDH2IMPDH1SLC9A1ALDH1A1GAA
SCHEMBL7325807 0.75 ALDH1A1 (0.50) ALDH1A1GAATLR8TSHRMAPK1
Hydrochloric Acid SCHEMBL10607534 0.74 ALDH1A1 (0.53) ALDH1A1GAATLR8TSHRMAPK1
SCHEMBL7519140 0.74 ALDH1A1 (0.44) ALDH1A1GAATLR8TSHRMAPK1
SCHEMBL6747998 0.73 GAA (0.54) IMPDH2IMPDH1ALDH1A1GAATLR8
SCHEMBL6752575 0.73 SLC9A1 (0.40) SLC9A1ALDH1A1MAPK1
SCHEMBL6753700 0.73 CYP19A1 (0.52) ALDH1A1MAPTHTTSMN1; SMN2TDP1
SCHEMBL8145073 0.72 ALDH1A1 (0.48) ALDH1A1GAATLR8TSHRMAPK1
SCHEMBL13963701 0.72 PDE10A (0.48) ALDH1A1GAATLR8TSHRMAPK1

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 3 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 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 IMPDH2 2217/4885IMPDH1 1643/4885SLC9A1 172/4885

“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.