SCHEMBL2216339

SCHEMBL2216339

CC1(C)OCc2c(CNC3(c4ccc(F)cc4)CC3)cnc(C(=O)NO)c2O1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.44
HDAC3 O15379 16/20 0.44
HDAC1 Q13547 16/20 0.44
HDAC2 Q92769 16/20 0.44
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.33

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
SCHEMBL15746733 0.91 ALDH1A1 (0.38) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL12515762 0.83 HDAC3 (0.43) HDAC6HDAC3HDAC1HDAC2MAOB
SCHEMBL1503177 0.79 ALDH1A1 (0.37) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL1503254 0.76 HDAC3 (0.47) HDAC6HDAC3HDAC1HDAC2
SCHEMBL22719912 0.76 KMT2A (0.39) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL1503192 0.75 ALDH1A1 (0.40) HDAC6HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL4448481 0.75 HDAC3 (0.37) HDAC6HDAC3HDAC1HDAC2MAPK1
SCHEMBL12444452 0.74 HDAC3 (0.36) HDAC6HDAC3HDAC1HDAC2MAOB
SCHEMBL1503189 0.73 KMT2A (0.40) ALDH1A1MAPK1KMT2AMAOB
SCHEMBL30193078 0.73 KMT2A (0.40) ALDH1A1MAPK1KMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed

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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB HDAC6 4827/4885HDAC3 4086/4885HDAC1 2694/4885

“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.