SCHEMBL22101239

SCHEMBL22101239

O=c1c2ccc(Br)cc2cnn1CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
KMO O15229 1/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTGS2 P35354 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHEK1 O14757 1/20 0.36
FLT3 P36888 1/20 0.36
CNR1 P21554 1/20 0.35
MITF O75030 1/20 0.35
PKM P14618 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL22101196 0.83 PTGS2 (0.39) NPC1RAB9AKMOSMN1; SMN2LMNA
SCHEMBL24204558 0.81 KMT2A (0.45) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL22101777 0.81 TDP1 (0.40) NPC1RAB9APTGS2TDP1CHEK1
SCHEMBL22393580 0.81 BTK (0.39) PTGS2TDP1CHEK1FLT3CNR1
SCHEMBL20015170 0.79 KMO (0.41) KMOHSP90AA1HSP90AB1TRAP1CYP1A2
SCHEMBL20985778 0.78 NPC1 (0.49) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL20786921 0.78 NPC1 (0.43) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL20985820 0.78 KMT2A (0.49) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL20786914 0.76 LMNA (0.45) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL20786971 0.76 TDP1 (0.55) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 2622/4885RAB9A 4614/4885KMT2A 843/4885
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR NPC1 2622/4885RAB9A 4614/4885KMT2A 843/4885
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist AR, NR5A1, LHCGR NPC1 2622/4885RAB9A 4614/4885KMT2A 843/4885

“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.