SCHEMBL22101910

SCHEMBL22101910

COc1cc(=O)n2cc(Br)cc(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
AHR P35869 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22101868 0.85 KDM4E (0.35) SMN1; SMN2MAPTKDM4ERXFP1
SCHEMBL22101472 0.84 FFAR4 (0.32) ALDH1A1CYP2C9HPGD
SCHEMBL22101540 0.84 CYP2C9 (0.35) ALDH1A1LMNASMN1; SMN2RAB9ACYP2C9
SCHEMBL22393586 0.80 CYP2C9 (0.33) ALDH1A1MAPTCYP2C9HPGD
SCHEMBL22101469 0.79 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2NPC1GAA
SCHEMBL22393919 0.77 KDM5B (0.36) ALDH1A1SMN1; SMN2NPC1GAAMAPT
SCHEMBL28520962 0.75 RXFP1 (0.36) SMN1; SMN2MAPTRAB9AKDM4ERXFP1
SCHEMBL22101486 0.75 KCNQ3 (0.35)
SCHEMBL22393755 0.74 P2RX7 (0.32)
SCHEMBL22101490 0.72 MAPT (0.35) ALDH1A1NPC1MAPTRAB9AHPGD

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 ALDH1A1 1844/4885LMNA 3964/4885SMN1; SMN2 4810/4885
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR ALDH1A1 1844/4885LMNA 3964/4885SMN1; SMN2 4810/4885
US-11332465-B2 Diarylthiohydantoin compound as androgen receptor antagonist AR, NR5A1, LHCGR ALDH1A1 1844/4885LMNA 3964/4885SMN1; SMN2 4810/4885

“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.