SCHEMBL21996116

SCHEMBL21996116

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.42
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
HSD17B10 Q99714 2/20 0.38
MMP13 P45452 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 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
SCHEMBL21996111 0.87 LMNA (0.42) GRM5ALDH1A1RXFP1MEN1KMT2A
SCHEMBL21996143 0.85 HDAC1 (0.52) MEN1KMT2ATSHRMMP13HTT
SCHEMBL7654082 0.76 MEN1 (0.56) GRM5RXFP1MEN1KMT2AMAPK1
SCHEMBL13007428 0.74 MEN1 (0.46) GRM5ALDH1A1RXFP1MEN1KMT2A
SCHEMBL11820042 0.74 KMT2A (0.45) GRM5ALDH1A1RXFP1MEN1KMT2A
SCHEMBL4622450 0.73 EPHX1 (0.49) MEN1KMT2AGAAMAPTHTT
SCHEMBL21996147 0.73 MAPK1 (0.41) GRM5ALDH1A1RXFP1MEN1KMT2A
SCHEMBL6940053 0.73 CASP3 (0.58) GRM5ALDH1A1RXFP1RPS6KA2
SCHEMBL15492070 0.72 HPGD (0.48) GRM5ALDH1A1MEN1KMT2AGAA
SCHEMBL7479630 0.71 ALDH1A1 (0.40) GRM5ALDH1A1RXFP1MEN1KMT2A

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 GRM5 305/4885ALDH1A1 1600/4885RXFP1 2526/4885
US-11292782-B2 Diarylhydantoin compounds and methods of use thereof SHBG, NCOA3, NCOA1 GRM5 305/4885ALDH1A1 1600/4885RXFP1 2526/4885

“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.