SCHEMBL30948331

SCHEMBL30948331

O=C1C(=O)N(C2CCCC2)CCN1Cc1nnc(-c2ccccc2F)s1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.68
HRH3 Q9Y5N1 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL30948332 0.98 IL4I1 (0.71) IL4I1HRH3RXFP1TP53MEN1
SCHEMBL30948310 0.88 IL4I1 (0.56) IL4I1HRH3RXFP1ALDH1A1POLB
SCHEMBL27163079 0.87 IL4I1 (0.74) IL4I1HRH3RXFP1TP53POLB
SCHEMBL30948159 0.85 IL4I1 (0.74) IL4I1HRH3RXFP1TP53LMNA
SCHEMBL27163306 0.84 IL4I1 (0.77) IL4I1HRH3RXFP1TP53POLB
SCHEMBL30947957 0.83 IL4I1 (0.96) IL4I1HRH3RXFP1TP53MEN1
SCHEMBL30948085 0.83 IL4I1 (0.78) IL4I1HRH3RXFP1TP53LMNA
SCHEMBL30948017 0.82 IL4I1 (0.60) IL4I1HRH3RXFP1TP53POLB
SCHEMBL30948276 0.81 IL4I1 (1.00) IL4I1HRH3RXFP1TP53MEN1
SCHEMBL30948267 0.81 IL4I1 (0.63) IL4I1HRH3RXFP1TP53ALDH1A1

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 613/4885RXFP1 1354/4885

“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.