SCHEMBL31375446

SCHEMBL31375446

O=C1N(c2ncccc2C(F)(F)F)CCC12CCN(c1nn(CC(F)F)c3nccnc13)CC2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.43
▸ EPHX2 P34913 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ HSD11B1 P28845 6/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RORC P51449 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TRPV1 Q8NER1 3/20 0.35

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
SCHEMBL30329317 0.78 HCRTR2 (0.44) EGLN1
SCHEMBL25164791 0.78 HCRTR2 (0.44) EGLN1
SCHEMBL30328538 0.76 HCRTR2 (0.41) EGLN1EPHX2RBP4HSD11B1GAA
SCHEMBL25164543 0.76 HCRTR2 (0.41) EGLN1EPHX2RBP4HSD11B1GAA
Hydrochloric Acid SCHEMBL30329400 0.74 EPHX2 (0.55) EGLN1EPHX2RBP4HSD11B1GAA
SCHEMBL30327732 0.68 TRPV1 (0.48) EGLN1HSD11B1GAATRPV1
SCHEMBL25164431 0.66 PTPN11 (0.43) —
SCHEMBL30328218 0.66 PTPN11 (0.43) —
SCHEMBL4721522 0.65 HSD11B1 (0.49) EPHX2RBP4HSD11B1GAATRPV1
SCHEMBL30328069 0.65 LIPE (0.37) EGLN1

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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 — — 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-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 EGLN1 2437/4885EPHX2 2639/4885RBP4 3749/4885

“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.

Send feedback