SCHEMBL20109470

SCHEMBL20109470

Nc1ccccc1NC(=O)c1ccc(CCCNC(=O)OCc2cccnc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.79
HDAC3 O15379 12/20 0.79
HDAC2 Q92769 12/20 0.79
HDAC8 Q9BY41 10/20 0.79
HDAC4 P56524 9/20 0.79
HDAC7 Q8WUI4 9/20 0.79
HDAC10 Q969S8 9/20 0.79
HDAC11 Q96DB2 9/20 0.79
HDAC6 Q9UBN7 9/20 0.79
HDAC9 Q9UKV0 9/20 0.79
HDAC5 Q9UQL6 9/20 0.79
KDM1A O60341 1/20 0.79
CYP3A4 P08684 1/20 0.79
F3 P13726 1/20 0.79
NCOR2 Q9Y618 1/20 0.79
KCNH2 Q12809 1/20 0.63
NAMPT P43490 2/20 0.57

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
Entinostat SCHEMBL29499905 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29838042 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL29387345 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL148309 0.88 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2409897 0.87 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2407986 0.87 HDAC1 (0.98) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL2415852 0.86 HDAC1 (0.92) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2412431 0.86 HDAC1 (0.94) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2412014 0.85 HDAC1 (0.93) HDAC1HDAC3HDAC2HDAC8HDAC4
Entinostat SCHEMBL2413749 0.85 HDAC1 (0.93) HDAC1HDAC3HDAC2HDAC8HDAC4

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-20180117011-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2018-05-03 US disclosed
US-20180117011-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2018-05-03 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-20180117011-A1 ENZALUTAMIDE IN COMBINATION WITH AFURESERTIB FOR THE TREATMENT OF CANCER AR, PIK3CA, NR5A1 HDAC1 7/4885HDAC3 16/4885HDAC2 32/4885

“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.