SCHEMBL20176390

SCHEMBL20176390

Cc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1cnc(N2CCNCC2)s1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 17/20 0.79
HDAC3 O15379 15/20 0.79
KCNH2 Q12809 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C18 P33260 1/20 0.65
CYP2C19 P33261 1/20 0.65
HDAC1 Q13547 4/20 0.60
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL20176396 0.89 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20176386 0.83 HDAC2 (0.81) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181484 0.80 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181511 0.79 KCNH2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181653 0.75 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181469 0.75 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL5224561 0.73 HDAC2 (0.76) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181493 0.73 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181846 0.73 KCNH2 (0.82) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL21275920 0.73 HDAC2 (0.55) HDAC2HDAC3KCNH2CYP1A2CYP2C18

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 HDAC2 2/4885HDAC3 6/4885KCNH2 4371/4885

“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.