SCHEMBL7044832

SCHEMBL7044832

CC(CCN(C(=O)CCCCNC(=O)Oc1cccnc1)C(=O)c1ncc(-c2ccccc2)o1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.41
HDAC1 Q13547 10/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MGLL Q99685 2/20 0.40
FAAH O00519 4/20 0.37

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
SCHEMBL7046916 0.85 HDAC1 (0.45) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7044837 0.73 EPHX2 (0.38) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7046297 0.70 FOLH1 (0.39) FAAH
SCHEMBL7421214 0.69 FOLH1 (0.48)
SCHEMBL7047769 0.68 HDAC1 (0.40) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7045332 0.67 FOLH1 (0.40) HDAC6HDAC1HDAC2
SCHEMBL7049032 0.66 FOLH1 (0.40)
SCHEMBL6211869 0.65 FAAH (0.66) MGLLFAAH
SCHEMBL27823605 0.65 FAAH (0.53) MGLLFAAH
SCHEMBL27802853 0.64 FAAH (0.67) MGLLFAAH

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ HDAC6 217/4885HDAC1 304/4885HDAC3 266/4885

“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.