SCHEMBL30948302

SCHEMBL30948302

O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2cncs2)nc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.43
IL4I1 Q96RQ9 6/20 0.43
LMNA P02545 4/20 0.39
HSD11B1 P28845 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 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
SCHEMBL30948250 0.83 IL4I1 (0.59) TP53IL4I1LMNARXFP1
SCHEMBL30948079 0.81 IL4I1 (0.62) TP53IL4I1LMNARXFP1
SCHEMBL30948184 0.81 IL4I1 (0.56) TP53IL4I1LMNAHSD11B1RXFP1
SCHEMBL27163582 0.81 IL4I1 (0.62) TP53IL4I1LMNAHSD11B1RXFP1
SCHEMBL30046438 0.81 IL4I1 (0.62) TP53IL4I1LMNAHSD11B1RXFP1
SCHEMBL30948129 0.80 IL4I1 (0.49) TP53IL4I1LMNA
SCHEMBL30948237 0.79 IL4I1 (0.45) TP53IL4I1LMNAHSD11B1RXFP1
SCHEMBL27163155 0.79 TP53 (0.54) TP53IL4I1LMNA
SCHEMBL30948110 0.78 TP53 (0.47) TP53IL4I1LMNAHSD11B1RXFP1
SCHEMBL30948025 0.76 IL4I1 (0.46) TP53IL4I1HSD11B1RXFP1

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 TP53 1444/4885IL4I1 1/4885LMNA 1870/4885

“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.