SCHEMBL30948313

SCHEMBL30948313

O=C1C(=O)N(C2CCCC2)CCN1Cc1nnc(-c2nccs2)s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.57
TP53 P04637 4/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL27163124 0.81 IL4I1 (0.49) IL4I1TP53LMNARXFP1
SCHEMBL27163079 0.80 IL4I1 (0.74) IL4I1TP53LMNARXFP1
SCHEMBL27162868 0.79 IL4I1 (0.49) IL4I1TP53ADORA2AADORA1LMNA
SCHEMBL30948013 0.79 IL4I1 (0.80) IL4I1TP53ADORA2AADORA1LMNA
SCHEMBL30948267 0.79 IL4I1 (0.63) IL4I1TP53RXFP1
SCHEMBL30948159 0.78 IL4I1 (0.74) IL4I1TP53LMNARXFP1
SCHEMBL30948331 0.78 IL4I1 (0.68) IL4I1TP53LMNARXFP1
SCHEMBL27163306 0.78 IL4I1 (0.77) IL4I1TP53LMNARXFP1
SCHEMBL30947933 0.77 IL4I1 (0.53) IL4I1TP53LMNARXFP1
SCHEMBL30948354 0.77 IL4I1 (0.80) IL4I1TP53ADORA2AADORA1LMNA

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 1444/4885ADORA2A 4436/4885

“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.