SCHEMBL30948157

SCHEMBL30948157

O=C1C(=O)N([C@H]2C[C@@H](c3ccccc3)C2)CCN1Cc1ccc(-n2ccnn2)nn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 8/20 0.44
KDM6B O15054 1/20 0.36
RXFP1 Q9HBX9 1/20 0.32
MAP3K5 Q99683 1/20 0.32
POLB P06746 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
EPHX1 P07099 1/20 0.31
EPHX2 P34913 1/20 0.31
CHRM1 P11229 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL30947998 0.85 IL4I1 (0.49) IL4I1KDM6BRXFP1POLBTP53
SCHEMBL27163645 0.84 IL4I1 (0.53) IL4I1RXFP1CHRM1TP53
SCHEMBL27163580 0.81 IL4I1 (0.50) IL4I1RXFP1POLBDRD2DRD3
SCHEMBL27163134 0.81 IL4I1 (0.50) IL4I1RXFP1POLBDRD2DRD3
SCHEMBL27163138 0.81 IL4I1 (0.50) IL4I1RXFP1POLBDRD2DRD3
SCHEMBL30046201 0.79 IL4I1 (0.58) IL4I1RXFP1POLBTP53
SCHEMBL30047301 0.79 IL4I1 (0.58) IL4I1RXFP1POLBTP53
SCHEMBL27163300 0.79 IL4I1 (0.58) IL4I1RXFP1POLBTP53
SCHEMBL27163158 0.79 IL4I1 (0.58) IL4I1RXFP1POLBTP53
SCHEMBL27163162 0.79 IL4I1 (0.58) IL4I1RXFP1POLBTP53

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 1/4885KDM6B 2333/4885RXFP1 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.