SCHEMBL4744989

SCHEMBL4744989

O=C(NNc1ncccn1)c1ccc(CNCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC1 Q13547 7/20 0.50
HDAC3 O15379 2/20 0.50
HDAC2 Q92769 2/20 0.50
NCOR2 Q9Y618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ROCK2 O75116 1/20 0.46
RPS6KA5 O75582 1/20 0.46
MAP4K4 O95819 1/20 0.46
PRKCG P05129 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
MAPK1 P28482 1/20 0.46
AKT1 P31749 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PRKX P51817 1/20 0.46

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
SCHEMBL4896716 0.83 HDAC3 (0.49) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL16718754 0.83 PTGS2 (0.60) MAPK1ALDH1A1
SCHEMBL4749020 0.82 HDAC6 (0.66) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL4748727 0.80 NPC1 (0.52) HDAC6HDAC8SMN1; SMN2ALDH1A1KDM4A
SCHEMBL14005231 0.80 HDAC6 (0.61) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL4893276 0.76 ALDH1A1 (0.66) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL4896617 0.75 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL14005215 0.75 CXCR4 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL31454334 0.75 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC3HDAC2
SCHEMBL4888218 0.74 HDAC3 (0.56) HDAC6HDAC8HDAC1HDAC3HDAC2

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HDAC6 1039/4885HDAC8 2165/4885HDAC1 803/4885

“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.