SCHEMBL31474533

SCHEMBL31474533

FC(F)(F)c1ccc(Oc2nccnc2N2CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
ADRB1 P08588 3/20 0.48
ADRB2 P07550 1/20 0.45
NCF1 P14598 1/20 0.45
SCN7A Q01118 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN9A Q15858 1/20 0.42
PDE10A Q9Y233 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
TRPA1 O75762 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL26104844 1.00 EPHX2 (0.51) EPHX2ADRB1ADRB2NCF1SCN7A
SCHEMBL26108850 0.88 ALDH1A1 (0.43) EPHX2PDE10ATRPV1TRPA1
SCHEMBL30591953 0.88 ALDH1A1 (0.43) EPHX2PDE10ATRPV1TRPA1
SCHEMBL30591932 0.85 EPHX2 (0.47) EPHX2ADRB1SCN9APDE10A
SCHEMBL26134481 0.85 EPHX2 (0.47) EPHX2ADRB1SCN9APDE10A
SCHEMBL30592002 0.85 EPHX2 (0.47) EPHX2ADRB1ADRB2NCF1SCN7A
SCHEMBL26134573 0.83 EPHX2 (0.47) EPHX2ADRB1HTR2C
SCHEMBL27505893 0.81 HTR2C (0.47) EPHX2ADRB2NCF1HTR2C
SCHEMBL3321164 0.79 EPHX2 (0.55) EPHX2ADRB1ADRB2NCF1KCNH2
SCHEMBL30591874 0.77 TRPV1 (0.52) PDE10ATRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206722-A1 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE 2025-06-26 US disclosed
CN-119403551-A Small molecule inhibitors of TEA domain family members 斯克里普斯研究学院 2025-02-07 CN 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-20250206722-A1 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS YAP1, TEAD1, TEAD2 EPHX2 4238/4885ADRB1 2436/4885ADRB2 3001/4885

“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.