SCHEMBL30948129

SCHEMBL30948129

O=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2cncs2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.49
TP53 P04637 4/20 0.37
CD38 P28907 1/20 0.36
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.33
GRIN2B Q13224 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32

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
SCHEMBL30947904 0.84 IL4I1 (0.46) IL4I1TP53CD38LMNAPDE4A
SCHEMBL30948025 0.81 IL4I1 (0.46) IL4I1TP53CD38HCRTR1HCRTR2
SCHEMBL27162868 0.80 IL4I1 (0.49) IL4I1TP53LMNAHCRTR1HCRTR2
SCHEMBL30948302 0.80 TP53 (0.43) IL4I1TP53LMNA
SCHEMBL30948265 0.79 IL4I1 (0.74) IL4I1TP53LMNAPDE4A
SCHEMBL27163578 0.78 IL4I1 (0.51) IL4I1TP53LMNA
SCHEMBL30948250 0.78 IL4I1 (0.59) IL4I1TP53CD38LMNA
SCHEMBL30948258 0.77 IL4I1 (0.74) IL4I1TP53LMNAPDE4A
SCHEMBL27163414 0.76 IL4I1 (0.57) IL4I1TP53LMNAPDE4A
SCHEMBL27163516 0.75 IL4I1 (0.48) IL4I1TP53LMNA

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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-25 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-20240246937-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 IL4I1 1/4885TP53 1444/4885CD38 4641/4885

“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.