SCHEMBL22393702

SCHEMBL22393702

CCc1cc(F)c2nc(CC)c(OCCOC)c(=O)n2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
MET P08581 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ATM Q13315 1/20 0.30
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
SCHEMBL22101905 0.88 PDE2A (0.31) METCYP1A2CYP3A4TSHRHSD17B10
SCHEMBL22393761 0.85 MET (0.30) MET
SCHEMBL22101706 0.77 HTR1A (0.32) ATML3MBTL1
SCHEMBL22101184 0.74 CRHR1 (0.31)
SCHEMBL22393766 0.74
SCHEMBL22393755 0.73 P2RX7 (0.32)
SCHEMBL22393707 0.73 MAPK3 (0.31)
SCHEMBL22393700 0.71 ALDH1A1 (0.30)
SCHEMBL22101707 0.70 ALDH1A1 (0.32) HSD17B10L3MBTL1
SCHEMBL22101906 0.70 KDM4E (0.43)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-03 US 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 (1 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-20200277290-A1 DIARYLTHIOHYDANTOIN COMPOUND AS ANDROGEN RECEPTOR ANTAGONIST AR, NR5A1, LHCGR HCAR2 32/4885MET 132/4885CYP1A2 2979/4885

“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.