SCHEMBL21996111

SCHEMBL21996111

COC(=O)C(C)(C)Nc1ccc(CN2C(=O)c3ccccc3C2=O)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RPS6KA2 Q15349 3/20 0.40
BDKRB1 P46663 1/20 0.39
GRM5 P41594 2/20 0.39
ACHE P22303 4/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL21996116 0.87 GRM5 (0.42) TSHRRXFP1MEN1KMT2ARPS6KA2
SCHEMBL21996143 0.82 HDAC1 (0.52) LMNATSHRMEN1KMT2APOLB
SCHEMBL21996147 0.82 MAPK1 (0.41) LMNATSHRL3MBTL1RXFP1MEN1
SCHEMBL582153 0.77 RET (0.44) TSHRALDH1A1POLB
SCHEMBL21996154 0.74 RXFP1 (0.40) LMNATSHRL3MBTL1RXFP1MEN1
SCHEMBL11815790 0.74 LMNA (0.44) LMNATSHRL3MBTL1RXFP1MEN1
SCHEMBL20046088 0.72 CA2 (0.39) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL6489508 0.71 LMNA (0.54) LMNATSHRL3MBTL1RXFP1MEN1
SCHEMBL26625800 0.71 ACHE (0.61) RPS6KA2GRM5ACHEHSD17B10
SCHEMBL18669187 0.71 ACHE (0.61) RPS6KA2GRM5ACHEHSD17B10

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 LMNA 1647/4885TSHR 1702/4885L3MBTL1 3935/4885
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof SHBG, NCOA3, NCOA1 LMNA 1647/4885TSHR 1702/4885L3MBTL1 3935/4885

“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.