SCHEMBL30947985

SCHEMBL30947985

O=c1c(=O)n(C2CCCC2)ccn1Cc1cc(-c2cccc(F)c2)no1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 9/20 0.79
HSD17B13 Q7Z5P4 1/20 0.42
EPHX2 P34913 2/20 0.41
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
GRM5 P41594 2/20 0.37
PDE1C Q14123 1/20 0.36
MAOB P27338 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
SCHEMBL30948323 0.98 IL4I1 (0.76) IL4I1HSD17B13EPHX2MAPTSMN1; SMN2
SCHEMBL30948101 0.89 IL4I1 (0.80) IL4I1HSD17B13EPHX2MAPTSMN1; SMN2
SCHEMBL27163390 0.89 IL4I1 (1.00) IL4I1HSD17B13MAPTSMN1; SMN2HTT
SCHEMBL30948284 0.87 IL4I1 (0.77) IL4I1HSD17B13EPHX2MAPTSMN1; SMN2
SCHEMBL30948015 0.86 IL4I1 (0.96) IL4I1HSD17B13MAPTSMN1; SMN2HTT
SCHEMBL30948142 0.83 IL4I1 (0.74) IL4I1MAPTSMN1; SMN2HTTCYP11B1
SCHEMBL30948066 0.81 IL4I1 (0.71) IL4I1MAPTSMN1; SMN2HTTCYP11B1
SCHEMBL30948077 0.81 IL4I1 (0.79) IL4I1HSD17B13GRM5PDE1C
SCHEMBL30948078 0.81 IL4I1 (0.65) IL4I1CYP11B1CYP11B2PDE1CMAOB
SCHEMBL30948223 0.80 IL4I1 (0.52) IL4I1HSD17B13EPHX2MAPTSMN1; SMN2

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 1/4885HSD17B13 1546/4885EPHX2 3776/4885

“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.