SCHEMBL27163698

SCHEMBL27163698

O=C1C(=O)N(C2CCCC2)CCN1Cc1cc(-c2ccccc2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 7/20 1.00
SMN1; SMN2 Q16637 4/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
NOTUM Q6P988 2/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30947922 0.98 IL4I1 (0.96) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948292 0.89 IL4I1 (0.80) IL4I1SMN1; SMN2MAPTRAB9ARXFP1
SCHEMBL30948229 0.89 IL4I1 (0.79) IL4I1SMN1; SMN2MAPTRXFP1
SCHEMBL30948211 0.88 IL4I1 (0.78) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948240 0.87 IL4I1 (0.77) IL4I1SMN1; SMN2MAPTRAB9ARXFP1
SCHEMBL30948059 0.86 IL4I1 (0.76) IL4I1SMN1; SMN2MAPTRXFP1LMNA
SCHEMBL30948026 0.86 IL4I1 (0.76) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948277 0.84 IL4I1 (0.72) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30948132 0.81 IL4I1 (0.68) IL4I1SMN1; SMN2NOTUMNPC1RAB9A
SCHEMBL30948234 0.79 IL4I1 (0.65) IL4I1SMN1; SMN2NOTUMNPC1RAB9A

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 4 patents. 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
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022227015-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2022-11-03 WO disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO 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.