SCHEMBL23674875

SCHEMBL23674875

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccc(-c2c[nH]nn2)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.53
PGR P06401 1/20 0.53
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL23674861 0.93 AR (0.54) ARHDAC1
SCHEMBL23674929 0.89 AR (0.61) ARPGRHDAC3HDAC4HDAC1
SCHEMBL23674781 0.84 AR (0.53) ARPGR
SCHEMBL23692022 0.84 AR (0.40) ARPGRHDAC3HDAC4HDAC1
SCHEMBL16845463 0.84 PGR (0.58) ARPGR
SCHEMBL23691999 0.83 AR (0.61) ARPGR
SCHEMBL23674938 0.82 AR (0.57) ARHDAC1
SCHEMBL26449089 0.81 PGR (0.53) ARPGR
SCHEMBL7785957 0.80 AR (0.66) ARPGR
SCHEMBL16845631 0.80 AR (0.65) ARPGRHDAC3HDAC4HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135524-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-04 US disclosed
US-20230135524-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-04 US disclosed
US-20230135524-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-04 US disclosed
WO-2021150603-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-07-29 WO disclosed
WO-2021150603-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-07-29 WO 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-20230135524-A1 ARYL HYDANTOIN HETEROCYCLES AND METHODS OF USE CYP21A2, AR, NR5A1 AR 2/4885PGR 118/4885HDAC3 744/4885

“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.