SCHEMBL30948078

SCHEMBL30948078

O=c1c(=O)n(C2CCCC2)ccn1Cc1ccc(-c2cccc(F)c2)nn1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 9/20 0.65
PDE1C Q14123 2/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
GRIN2B Q13224 2/20 0.35
CYP11B1 P15538 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOB P27338 1/20 0.34
CYP11B2 P19099 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL30947909 0.98 IL4I1 (0.62) IL4I1PDE1CTP53THRBGRIN2B
SCHEMBL30948020 0.87 IL4I1 (0.63) IL4I1CYP11B1ALDH1A1CYP11B2
SCHEMBL30047237 0.85 IL4I1 (0.64) IL4I1CYP11B1CYP11B2
SCHEMBL27163789 0.85 IL4I1 (0.64) IL4I1CYP11B1CYP11B2
SCHEMBL30948219 0.82 IL4I1 (0.57) IL4I1PDE1CTHRBPOLB
SCHEMBL30947966 0.81 IL4I1 (0.67) IL4I1THRBCYP11B1POLBCYP11B2
SCHEMBL30947985 0.81 IL4I1 (0.79) IL4I1PDE1CCYP11B1MAOBCYP11B2
SCHEMBL30948077 0.80 IL4I1 (0.79) IL4I1PDE1CGRIN2B
SCHEMBL30948021 0.80 IL4I1 (0.59) IL4I1POLB
SCHEMBL30948097 0.79 IL4I1 (0.70) IL4I1THRBCYP11B1POLBCYP11B2

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 1/4885PDE1C 4162/4885TP53 1444/4885

“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.