SCHEMBL3436645

SCHEMBL3436645

CCCNC(=O)c1coc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.65
HDAC8 Q9BY41 9/20 0.65
HDAC6 Q9UBN7 9/20 0.65
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TBXA2R P21731 1/20 0.48
TBXAS1 P24557 1/20 0.48
PDE4B Q07343 2/20 0.47

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
SCHEMBL3436653 0.88 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL12339938 0.82 HDAC1 (0.63) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL3436660 0.82 HDAC1 (0.44) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL3436661 0.82 HDAC1 (0.44) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL167905 0.81 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL2554554 0.81 HDAC1 (0.74) HDAC1HDAC8HDAC6ALDH1A1PDE4B
SCHEMBL28608110 0.81 HIF1A (0.61) HDAC1HDAC8HDAC6ALDH1A1TBXA2R
SCHEMBL28596535 0.81 HIF1A (0.62) HDAC1HDAC8HDAC6ALDH1A1TBXA2R
SCHEMBL3436662 0.80 HDAC1 (0.45) HDAC1HDAC8HDAC6ALDH1A1GAA
SCHEMBL3436665 0.79 IRAK4 (0.46) HDAC1HDAC8HDAC6ALDH1A1GAA

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 HDAC1 372/4885HDAC8 384/4885HDAC6 539/4885

“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.