SCHEMBL21996134

SCHEMBL21996134

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1c1ccc(CN)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.73
ABCG2 Q9UNQ0 1/20 0.60
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
NR1I2 O75469 1/20 0.56
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
KLK3 P07288 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
CNR1 P21554 1/20 0.56
TBXA2R P21731 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56

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
SCHEMBL21996106 0.91 AR (0.74) ARABCG2HDAC3HDAC1HDAC2
SCHEMBL21996132 0.86 AR (0.66) ARPGR
SCHEMBL22140080 0.85 AR (1.00) AR
SCHEMBL10020938 0.85 AR (0.81) ARABCG2HDAC3HDAC1HDAC2
SCHEMBL565106 0.84 ABCG2 (0.83) ARABCG2HDAC3HDAC1HDAC2
SCHEMBL30946717 0.84 ABCG2 (0.83) ARABCG2HDAC3HDAC1HDAC2
SCHEMBL22140081 0.83 AR (1.00) AR
SCHEMBL189439 0.83 AR (0.81) ARABCG2HDAC3HDAC1HDAC2
SCHEMBL12049902 0.81 AR (0.62) ARABCG2PGR
SCHEMBL24831438 0.81 AR (0.82) ARABCG2HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof NUVATION BIO INC. (US) 2022-04-05 US disclosed
EP-3886853-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-20200199098-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-06-25 US disclosed
WO-2020113088-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 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 (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-20200199098-A1 DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF SHBG, NCOA3, NCOA1 AR 9/4885ABCG2 244/4885HDAC3 172/4885
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof SHBG, NCOA3, NCOA1 AR 9/4885ABCG2 244/4885HDAC3 172/4885

“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.