SCHEMBL30948100

SCHEMBL30948100

O=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2cn[nH]c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 5/20 0.48
ROCK2 O75116 11/20 0.41
GRK2 P25098 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SCD O00767 1/20 0.36
TP53 P04637 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
SCHEMBL30948370 0.84 IL4I1 (0.57) IL4I1TP53
SCHEMBL30948290 0.84 IL4I1 (0.48) IL4I1ROCK2ALDH1A1MAPK1
SCHEMBL30948193 0.82 IL4I1 (0.55) IL4I1TP53
SCHEMBL30947990 0.79 IL4I1 (0.47) IL4I1TP53
SCHEMBL30948110 0.79 TP53 (0.47) IL4I1ROCK2TP53
SCHEMBL30947904 0.79 IL4I1 (0.46) IL4I1ALDH1A1MAPK1TP53
SCHEMBL27163229 0.79 IL4I1 (0.47) IL4I1TP53
SCHEMBL30948004 0.77 IL4I1 (0.47) IL4I1TP53
SCHEMBL30947950 0.77 IL4I1 (0.66) IL4I1ROCK2SCDTP53
SCHEMBL30948084 0.75 IL4I1 (0.63) IL4I1ROCK2SCDTP53

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 1/4885ROCK2 4403/4885GRK2 2975/4885

“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.