SCHEMBL29475370

SCHEMBL29475370

CN(C)C(n1nnc2ccc(C(F)(F)F)cc21)=[N+](C)C.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.41
▸ KCNMA1 Q12791 2/20 0.40
▸ PDE2A O00408 8/20 0.34
▸ PDE10A Q9Y233 8/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE7A Q13946 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL22748808 0.96 PKM (0.43) PKMKCNMA1PDE2APDE10AKDM4E
SCHEMBL29588139 0.96 PKM (0.43) PKMKCNMA1PDE2APDE10AKDM4E
SCHEMBL29475401 0.93 PKM (0.41) PKMKCNMA1PDE2APDE10AKDM4E
SCHEMBL21904738 0.79 DGAT1 (0.51) KCNMA1KDM4ELMNAMAPK1HTT
SCHEMBL1971917 0.79 DGAT1 (0.51) KCNMA1KDM4ELMNAMAPK1HTT
SCHEMBL19848305 0.73 KCNMA1 (0.49) PKMKCNMA1PDE2APDE10AKDM4E
SCHEMBL16858668 0.73 PKM (0.41) PKMKCNMA1PDE2APDE10AKDM4E
SCHEMBL29031456 0.73 GLA (0.38) KCNMA1PDE2APDE10AKDM4ELMNA
SCHEMBL3893181 0.73 DGAT1 (0.57) KCNMA1KDM4EMAPK1HTTHSD17B10
SCHEMBL21073734 0.71 DGAT1 (0.51) KCNMA1KDM4EMAPK1HTTHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2026-05-21 — — US disclosed
US-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof INSTITUT CURIE (FR) 2026-01-20 — — US disclosed
US-11975091-B2 Composition for enhancing protein strength LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2024-05-07 — — US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 — — US disclosed
EP-4200309-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES ATEA Pharmaceuticals, Inc. (US) 2023-06-28 — — EP disclosed
US-20220233673-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2022-07-28 — — US disclosed
WO-2022040473-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2022-02-24 — — 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 (4 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-12527854-B2 Methods of producing Shiga toxin B-subunit (STxB) monomers and oligomers, and uses thereof STXBP1, RNGTT, UPF1 PKM 4689/4885KCNMA1 1251/4885PDE2A 4389/4885
US-11975091-B2 Composition for enhancing protein strength CUTA, S100A4, S100A8 PKM 3958/4885KCNMA1 1775/4885PDE2A 4132/4885
US-20260137765-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF STXBP1, HBB, UPF1 PKM 4207/4885KCNMA1 970/4885PDE2A 4201/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC PKM 2510/4885KCNMA1 2597/4885PDE2A 952/4885

“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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