SCHEMBL30947992

SCHEMBL30947992

O=C1C(=O)N(C2(CF)CC2)CCN1Cc1cc(-c2ccccc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NOTUM Q6P988 2/20 0.40
HTT P42858 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
LMNA P02545 2/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 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
SCHEMBL30948375 0.82 IL4I1 (0.64) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948081 0.76 IL4I1 (0.50) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948042 0.76 IL4I1 (0.50) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948058 0.75 IL4I1 (0.48) IL4I1HCRTR1HCRTR2ALDH1A1
SCHEMBL27163698 0.74 IL4I1 (1.00) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30947922 0.74 IL4I1 (0.96) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948248 0.73 IL4I1 (0.48) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948211 0.73 IL4I1 (0.78) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948194 0.70 CA12 (0.47) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL1441103 0.68 IL4I1 (0.54) IL4I1SMN1; SMN2MAPTCA12CA9

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 1/4885SMN1; SMN2 4821/4885MAPT 3067/4885

“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.