SCHEMBL30947975

SCHEMBL30947975

O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(-c2ccccn2)nn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 0.67
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TP53 P04637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
P2RX7 Q99572 1/20 0.37

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
SCHEMBL27162916 0.85 IL4I1 (0.77) IL4I1TP53LMNAGRM5RXFP1
SCHEMBL30046889 0.85 IL4I1 (0.77) IL4I1TP53LMNAGRM5RXFP1
SCHEMBL30948314 0.83 IL4I1 (0.74) IL4I1TP53LMNARXFP1
SCHEMBL30948288 0.83 IL4I1 (0.96) IL4I1TP53LMNARXFP1
SCHEMBL30948203 0.82 IL4I1 (0.71) IL4I1KDM4ETP53ALDH1A1GRM5
SCHEMBL30948013 0.81 IL4I1 (0.80) IL4I1TP53LMNARXFP1
SCHEMBL27163220 0.80 IL4I1 (1.00) IL4I1TP53LMNARXFP1
SCHEMBL30046257 0.80 IL4I1 (1.00) IL4I1TP53LMNARXFP1
SCHEMBL27163414 0.79 IL4I1 (0.57) IL4I1HSD11B1TP53LMNAGRM5
SCHEMBL27163551 0.79 IL4I1 (0.61) IL4I1TP53LMNARXFP1

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 1/4885HSD11B1 1682/4885KDM4E 1134/4885

“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.