SCHEMBL13178334

SCHEMBL13178334

Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)SC(CNCc2ccc(C(=O)NO)cc2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.53
HDAC1 Q13547 9/20 0.45
PIK3CA P42336 3/20 0.45
PIK3R1 P27986 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KDM1A O60341 2/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL13178205 0.80 HDAC1 (0.49) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1686124 0.76 PIK3CA (0.55) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1685944 0.74 HDAC1 (0.53) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1685770 0.72 HDAC1 (0.54) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1687289 0.72 HDAC1 (0.52) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL10270092 0.70 HDAC1 (0.63) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1686530 0.70 HDAC1 (0.51) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1685965 0.70 HDAC1 (0.50) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1285145 0.67 HDAC1 (0.59) HDAC6HDAC1PIK3CAPIK3R1HDAC3
SCHEMBL1687433 0.66 PIK3CA (0.52) HDAC6HDAC1PIK3CAPIK3R1HDAC3

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-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY CURIS, INC. 2010-09-02 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-20100222343-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY BAZ2A, BAZ2B, PI4KB HDAC6 124/4885HDAC1 10/4885PIK3CA 58/4885

“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.