SCHEMBL16296471

SCHEMBL16296471

CC(CC(F)(F)C(N)=O)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
CNR2 P34972 1/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
CYP19A1 P11511 3/20 0.35

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
SCHEMBL3660622 0.77 HDAC3 (0.37) HDAC3CYP2C9HDAC4HDAC1HDAC7
SCHEMBL14889555 0.75 CYP3A4 (0.38) HDAC3CYP2C9HDAC4HDAC1HDAC7
SCHEMBL17703537 0.75 CYP3A4 (0.40) CNR2CYP19A1CYP17A1ALDH1A1MAPT
SCHEMBL1678301 0.74 ACHE (0.41) KDM4ECYP19A1ALDH1A1L3MBTL1ROCK2
SCHEMBL28810022 0.73 ROCK2 (0.41) HDAC3CYP2C9HDAC4HDAC1HDAC7
SCHEMBL9204068 0.72 CNR2 (0.39) LMNACNR2CYP19A1ALDH1A1
SCHEMBL27917908 0.71 AAK1 (0.39) CYP17A1ROCK2ROCK1MAPK1DPP4
SCHEMBL27917909 0.71 AAK1 (0.39) CYP17A1ROCK2ROCK1MAPK1DPP4
SCHEMBL528273 0.70 CYP1A2 (0.46) LMNAKDM4EPKMCYP19A1CYP17A1
SCHEMBL20563826 0.70 CYP1A2 (0.46) LMNAKDM4EPKMCYP19A1CYP17A1

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-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A HDAC3 59/4885CYP2C9 1969/4885HDAC4 107/4885

“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.