SCHEMBL20176386

SCHEMBL20176386

Cc1ccc(-c2ccco2)cc1NC(=O)c1cnc(N2CCNCC2)s1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 15/20 0.81
HDAC3 O15379 11/20 0.81
KCNH2 Q12809 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C18 P33260 1/20 0.56
CYP2C19 P33261 1/20 0.56
HDAC1 Q13547 2/20 0.56
WDR5 P61964 1/20 0.43

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
SCHEMBL20176395 0.89 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20176390 0.83 HDAC2 (0.79) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181484 0.75 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181722 0.75 HDAC2 (0.57) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20181518 0.74 HDAC3 (1.00) HDAC2HDAC3KCNH2
SCHEMBL20181469 0.74 HDAC2 (1.00) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20176423 0.73 HDAC2 (1.00) HDAC2HDAC3KCNH2HDAC1
SCHEMBL20176408 0.73 HDAC2 (1.00) HDAC2HDAC3KCNH2HDAC1
SCHEMBL5224561 0.72 HDAC2 (0.76) HDAC2HDAC3KCNH2CYP1A2CYP2C18
SCHEMBL20176396 0.72 HDAC2 (1.00) 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.