SCHEMBL17153995

SCHEMBL17153995

CNc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.79
HDAC3 O15379 9/20 0.79
HDAC2 Q92769 9/20 0.79
NAMPT P43490 9/20 0.79
NCOR2 Q9Y618 6/20 0.79
HDAC4 P56524 4/20 0.79
HDAC7 Q8WUI4 4/20 0.79
HDAC10 Q969S8 4/20 0.79
HDAC11 Q96DB2 4/20 0.79
HDAC8 Q9BY41 4/20 0.79
HDAC6 Q9UBN7 4/20 0.79
HDAC9 Q9UKV0 4/20 0.79
HDAC5 Q9UQL6 4/20 0.79
NCOR1 O75376 1/20 0.79
KCNH2 Q12809 1/20 0.79

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
Tucidinostat SCHEMBL13815849 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
SCHEMBL5500152 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
SCHEMBL30267913 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
Tucidinostat SCHEMBL29813059 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
Tucidinostat SCHEMBL4483082 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
Tucidinostat SCHEMBL29350211 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
SCHEMBL8057949 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2NAMPTNCOR2
SCHEMBL24372333 0.81 HDAC1 (0.80) HDAC1HDAC3HDAC2NAMPTNCOR2
Tucidinostat SCHEMBL31697749 0.81 HDAC1 (0.85) HDAC1HDAC3HDAC2NAMPTNCOR2
Tucidinostat SCHEMBL30497063 0.80 HDAC1 (0.84) HDAC1HDAC3HDAC2NAMPTNCOR2

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-20150284360-A1 AMIDE DERIVATIVES OF ANILINE-RELATED COMPOUNDS AND COMPOSITIONS THEREOF C & C BIOPHARMA LLC (US) 2015-10-08 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-20150284360-A1 AMIDE DERIVATIVES OF ANILINE-RELATED COMPOUNDS AND COMPOSITIONS THEREOF AADAC, AAAS, NAT1 HDAC1 266/4885HDAC3 120/4885HDAC2 345/4885

“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.