SCHEMBL24996986

SCHEMBL24996986

COC(=O)/C(=C/c1ccc(F)cc1OC(C)C)N=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MKNK1 Q9BUB5 4/20 0.33
▸ MKNK2 Q9HBH9 4/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ EIF4E P06730 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL23148042 0.88 ALDH1A1 (0.37) ALDH1A1MKNK1MKNK2HCRTR1HCRTR2
SCHEMBL24113246 0.88 CTSL (0.38) —
SCHEMBL30310695 0.88 CTSL (0.38) —
SCHEMBL29813127 0.88 MAPT (0.38) ALDH1A1MKNK1MKNK2BACE1ACHE
SCHEMBL23170014 0.88 MAPT (0.38) ALDH1A1MKNK1MKNK2BACE1ACHE
SCHEMBL24996963 0.82 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL22620771 0.81 MAPT (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL30008568 0.81 CA1 (0.39) CA12CA1CA2CA9
SCHEMBL24113139 0.81 CA1 (0.39) CA12CA1CA2CA9
SCHEMBL18989878 0.80 CA12 (0.36) CA12CA1CA2CA9

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-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2023-02-09 — — 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-20230040909-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS IDO1, IDO2, INMT ALDH1A1 477/4885MKNK1 1595/4885MKNK2 1457/4885

“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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