SCHEMBL30948013

SCHEMBL30948013

O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2nccs2)nn1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.80
TP53 P04637 4/20 0.37
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL30948354 0.98 IL4I1 (0.80) IL4I1TP53LMNAKCNH2HRH3
SCHEMBL30948344 0.89 IL4I1 (1.00) IL4I1TP53LMNAKCNH2HRH3
SCHEMBL30948184 0.83 IL4I1 (0.56) IL4I1TP53LMNAKCNH2HRH3
SCHEMBL30947975 0.81 IL4I1 (0.67) IL4I1TP53LMNARXFP1
SCHEMBL27162916 0.79 IL4I1 (0.77) IL4I1TP53LMNARXFP1
SCHEMBL30046889 0.79 IL4I1 (0.77) IL4I1TP53LMNARXFP1
SCHEMBL30948250 0.79 IL4I1 (0.59) IL4I1TP53LMNARXFP1
SCHEMBL30948313 0.79 IL4I1 (0.57) IL4I1TP53LMNAADORA3ADORA2A
SCHEMBL30948203 0.78 IL4I1 (0.71) IL4I1TP53KCNH2
SCHEMBL27162868 0.78 IL4I1 (0.49) IL4I1TP53LMNAHCRTR1HCRTR2

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 1444/4885LMNA 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.