SCHEMBL30947957

SCHEMBL30947957

O=C1C(=O)N(C2CCCC2)CCN1Cc1nnc(-c2cccc(F)c2)s1

nearest known ligand 0.96

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.96
HRH3 Q9Y5N1 1/20 0.48
PDE4A P27815 1/20 0.42
S1PR1 P21453 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
PER2 O15055 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL30948276 0.98 IL4I1 (1.00) IL4I1HRH3PDE4AS1PR1RXFP1
SCHEMBL30948131 0.89 IL4I1 (0.80) IL4I1HRH3PDE4AS1PR1RXFP1
SCHEMBL30948159 0.88 IL4I1 (0.74) IL4I1HRH3PDE4ARXFP1TP53
SCHEMBL27163079 0.87 IL4I1 (0.74) IL4I1HRH3RXFP1TP53LMNA
SCHEMBL30948085 0.85 IL4I1 (0.78) IL4I1HRH3PDE4ARXFP1TP53
SCHEMBL27163306 0.85 IL4I1 (0.77) IL4I1HRH3PDE4ARXFP1TP53
SCHEMBL30948331 0.83 IL4I1 (0.68) IL4I1HRH3RXFP1KDM4ETP53
SCHEMBL27163515 0.82 IL4I1 (0.72) IL4I1HRH3PDE4ARXFP1TP53
SCHEMBL30948332 0.81 IL4I1 (0.71) IL4I1HRH3RXFP1KDM4ETP53
SCHEMBL30947995 0.81 IL4I1 (0.71) IL4I1HRH3PDE4ARXFP1TP53

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 1/4885HRH3 613/4885PDE4A 960/4885

“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.