SCHEMBL21996133

SCHEMBL21996133

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(CN)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 18/20 0.78
ABCG2 Q9UNQ0 1/20 0.67
HDAC1 Q13547 1/20 0.62
GABRP O00591 1/20 0.62
GABRD O14764 1/20 0.62
NR1I2 O75469 1/20 0.62
NR3C1 P04150 1/20 0.62
PGR P06401 1/20 0.62
KLK3 P07288 1/20 0.62
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
CNR1 P21554 1/20 0.62
TBXA2R P21731 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRB2 P47870 1/20 0.62
GABRA4 P48169 1/20 0.62

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
SCHEMBL21350025 0.91 AR (0.79) ARABCG2HDAC1GABRPGABRD
SCHEMBL21996132 0.90 AR (0.66) ARPGR
SCHEMBL7035063 0.90 AR (0.87) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715463 0.89 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL1716086 0.88 AR (0.84) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715956 0.88 AR (1.00) ARABCG2HDAC1GABRPGABRD
SCHEMBL547391 0.88 AR (0.84) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715951 0.87 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL14218798 0.87 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL29094457 0.87 AR (0.82) ARABCG2HDAC1GABRPGABRD

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 6 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
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
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 244/4885HDAC1 222/4885
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof SHBG, NCOA3, NCOA1 AR 9/4885ABCG2 244/4885HDAC1 222/4885

“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.