SCHEMBL3436665

SCHEMBL3436665

CCCNC(=O)c1coc(-c2ccnc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.46
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3436664 0.86 IRAK4 (0.48) IRAK4
SCHEMBL3436653 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL3436663 0.80 IRAK4 (0.43) IRAK4HDAC1HDAC8HDAC6
SCHEMBL3436661 0.80 HDAC1 (0.44) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL3436219 0.79 HDAC1 (0.45) IRAK4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3436645 0.79 HDAC1 (0.65) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL3436259 0.79 ALDH1A1 (0.44) IRAK4HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL25703275 0.77 IRAK4 (0.58) IRAK4
SCHEMBL14368132 0.77 IRAK4 (0.46) IRAK4HDAC1HDAC8HDAC6
SCHEMBL14368131 0.75 IRAK4 (0.45) IRAK4HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 IRAK4 199/4885HDAC1 372/4885HDAC8 384/4885

“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.