SCHEMBL30055973

SCHEMBL30055973

CC(C(=O)Nc1ccc(Cl)nc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 13/20 1.00
▸ KCNQ3 O43525 5/20 0.60
▸ KCNQ2 O43526 5/20 0.60
▸ KCNE1 P15382 4/20 0.60
▸ KCNQ1 P51787 4/20 0.60
▸ KCNJ11 Q14654 1/20 0.46
▸ KCNQ5 Q9NR82 1/20 0.46

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
SCHEMBL24118599 1.00 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496489 1.00 IDO1 (1.00) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30056253 0.88 IDO1 (1.00) IDO1
SCHEMBL21504226 0.88 IDO1 (1.00) IDO1
SCHEMBL30056397 0.88 IDO1 (1.00) IDO1
SCHEMBL30055204 0.87 IDO1 (0.77) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24117916 0.87 IDO1 (0.77) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL21496407 0.87 IDO1 (1.00) IDO1
SCHEMBL24118219 0.85 IDO1 (0.75) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL30056068 0.85 IDO1 (0.75) IDO1KCNQ3KCNQ2KCNE1KCNQ1

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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 — — 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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885KCNQ3 4162/4885KCNQ2 3812/4885

“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.

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