SCHEMBL26156339

SCHEMBL26156339

NCCCNC(=O)c1ccc(C(=O)ON)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ BRD4 O60885 6/20 0.43
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ ST14 Q9Y5Y6 1/20 0.43
▸ TERT O14746 2/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19662620 0.83 GRIN1 (0.47) GRIN1GRIN2AGRIN2BBRD4TERT
SCHEMBL21787242 0.80 SMYD3 (0.49) GRIN1GRIN2AGRIN2BTERTSMYD3
SCHEMBL3265291 0.76 KDM4E (0.60) GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL14159023 0.75 CYP1A2 (0.63) GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL27262549 0.73 MAPT (0.53) ALDH1A1
SCHEMBL16151772 0.73 SMN1; SMN2 (0.69) GRIN1GRIN2AGRIN2BTERT
SCHEMBL17623623 0.73 HDAC3 (0.59) GRIN1GRIN2AGRIN2BALDH1A1
SCHEMBL27328060 0.72 SMN1; SMN2 (0.52) GRIN1GRIN2AGRIN2BTERT
SCHEMBL28131346 0.71 NPC1 (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL16428996 0.71 SMN1; SMN2 (0.67) GRIN1GRIN2AGRIN2BTERT

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-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-05-25 — — 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-20230160000-A1 SYNTHESIS OF NOVEL DISULFIDE LINKER BASED NUCLEOTIDES AS REVERSIBLE TERMINATORS FOR DNA SEQUENCING BY SYNTHESIS POLRMT, RNGTT, MTR GRIN1 4613/4885GRIN2A 4278/4885GRIN2B 4356/4885

“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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