SCHEMBL22183560

SCHEMBL22183560

CCCNC1C=CN(C2CC(O)C(CO)O2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.44
▸ TK2 O00142 1/20 0.44
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX12 P18054 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL29388908 0.78 LMNA (0.49) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL16378861 0.78 LMNA (0.49) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL20643700 0.78 — —
SCHEMBL27102544 0.76 LMNA (0.34) TK1TK2LMNASMN1; SMN2
SCHEMBL27102578 0.76 LMNA (0.34) TK1TK2LMNASMN1; SMN2
SCHEMBL23892752 0.70 LMNA (0.45) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL25809594 0.70 TK1 (0.45) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL20463353 0.70 LMNA (0.50) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL2209009 0.69 ADRB1 (0.47) TK1TK2LMNASMN1; SMN2ALOX12
SCHEMBL4214655 0.69 LMNA (0.49) TK1TK2LMNASMN1; SMN2ALOX12

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-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY HOFFMANN-LA ROCHE INC. (US) 2020-07-02 — — 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-20200207874-A1 POLYPEPTIDE-POLYNUCLEOTIDE-COMPLEX AND ITS USE IN TARGETED EFFECTOR MOIETY DELIVERY PNKP, RNASE1, DCLRE1B TK1 139/4885TK2 225/4885LMNA 732/4885

“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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