SCHEMBL21838333

SCHEMBL21838333

O=C(Nc1cccc2ccccc12)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.56
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALOX12 P18054 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ TK2 O00142 1/20 0.50

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
SCHEMBL16373946 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL933426 0.86 TK1 (0.55) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19876156 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL22015702 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL12736937 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL16363404 0.86 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL24420691 0.85 TK1 (0.59) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL27060411 0.85 TK1 (0.59) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL27054129 0.85 TK1 (0.59) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21051291 0.84 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116437973-A Method for preparing high-function artificial organ by using aptamer 康干细胞生物科技有限公司 2023-07-14 — — CN disclosed
CN-114072504-A Aptamer specifically binding to cancer stem cells and use thereof 株式会社海赛尔科技 2022-02-18 — — CN disclosed
CN-112807427-A Use of an anti-CXCL 10 antibody for the preparation of a medicament for treating an inflammatory disease in a subject 吉安特科技公司 2021-05-18 — — CN disclosed
US-20200157543-A1 BIOMOLECULE IMAGING METHOD USING APTAMER INTEROLIGO CORPORATION (KR) 2020-05-21 — — US disclosed
EP-3636287-A1 BIOMOLECULE IMAGING METHOD USING APTAMER Interoligo Corporation (KR) 2020-04-15 — — EP 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-20200157543-A1 BIOMOLECULE IMAGING METHOD USING APTAMER ERBB2, ERBB3, ERBB4 TK1 9/4885LMNA 2535/4885SMN1; SMN2 2448/4885

“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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