SCHEMBL22101294

SCHEMBL22101294

OCCOc1ncc2cc(Br)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.42
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
PRNP P04156 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRAF P15056 1/20 0.34
APP P05067 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL17653372 0.80 ACACB (0.44) ACACBBACE1LMNAMAPTPDE3B
SCHEMBL22393717 0.78 SCN10A (0.38) PDE3BPDE3AP2RY12PIK3CDPIK3CA
SCHEMBL16881152 0.77 PRNP (0.49) ACACBBACE1PRNPL3MBTL1KMT2A
SCHEMBL29455719 0.76 BACE1 (0.46) BACE1LMNAMAPTPDE3BPDE3A
Hydrochloric Acid SCHEMBL28105750 0.76 PRNP (0.48) ACACBBACE1PRNPL3MBTL1KMT2A
SCHEMBL25262958 0.75 PDE3B (0.45) LMNAMAPTPDE3BPDE3AP2RY12
SCHEMBL31052246 0.75 PDE3B (0.45) LMNAMAPTPDE3BPDE3AP2RY12
SCHEMBL4824050 0.72 TGFBR1 (0.39) LMNAMAPTL3MBTL1APPRXFP1
SCHEMBL17003487 0.72 EDNRA (0.37) APP
SCHEMBL29455729 0.71 PIK3CD (0.47) BACE1LMNAMAPTPIK3CDPIK3CA

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-20230035184-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-02-02 US disclosed
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-05-17 US disclosed
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-03 US disclosed
EP-3666772-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-06-17 EP 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 (3 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-20230035184-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR ACACB 2850/4885BACE1 3834/4885LMNA 3964/4885
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR ACACB 2850/4885BACE1 3834/4885LMNA 3964/4885
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist AR, NR5A1, LHCGR ACACB 2850/4885BACE1 3834/4885LMNA 3964/4885

“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.