SCHEMBL21172161

SCHEMBL21172161

Nc1ccc(F)cc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.60
HDAC3 O15379 8/20 0.60
HDAC2 Q92769 6/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
NCOR2 Q9Y618 2/20 0.58
KCNH2 Q12809 2/20 0.54
NCOR1 O75376 1/20 0.54
NAMPT P43490 2/20 0.52
KDM1A O60341 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49

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
SCHEMBL30227347 0.93 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL24086664 0.93 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2412935 0.87 HDAC1 (0.68) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2415311 0.81 HDAC1 (0.70) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2410650 0.79 HDAC1 (0.78) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL24971452 0.76 HDAC1 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL674399 0.75 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2416253 0.75 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8350011 0.74 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
Hydrochloric Acid SCHEMBL2420198 0.74 HDAC1 (0.72) HDAC1HDAC3HDAC2HDAC4HDAC7

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-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAc Therapeutics, Inc. 2021-06-17 US disclosed
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAC THERAPEUTICS INC (US) 2019-07-18 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 (2 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-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 HDAC1 2/4885HDAC3 1/4885HDAC2 4/4885
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 HDAC1 2/4885HDAC3 1/4885HDAC2 4/4885

“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.