SCHEMBL19100083

SCHEMBL19100083

CC(=O)OOCCOC(COc1cccc(C(=O)NCCN)c1)N=[N+]=[N-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LOX P28300 2/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.37
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ REN P00797 1/20 0.36
▸ SMPD1 P17405 3/20 0.35

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
SCHEMBL26167876 0.90 LOX (0.43) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL16024506 0.87 SPHK2 (0.44) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL13634584 0.85 F10 (0.42) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL21546126 0.85 F10 (0.42) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL30587015 0.85 F10 (0.42) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL24370727 0.84 SMN1; SMN2 (0.45) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL24199561 0.84 F10 (0.40) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL13525981 0.84 F10 (0.38) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL26319090 0.82 MAOB (0.40) F10SPHK2KMT2AHDAC3ALDH1A1
SCHEMBL25093166 0.79 F10 (0.41) F10SPHK2KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180523-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags QUANTUMDX GROUP LIMITED (GB) 2021-11-23 — — US disclosed
US-20190248827-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2019-08-15 — — US disclosed
US-10273261-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags QUANTUMDX GROUP LIMITED (GB) 2019-04-30 — — US disclosed
US-20190004055-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2019-01-03 — — US disclosed
EP-3400444-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QuantuMDx Group Limited (GB) 2018-11-14 — — EP disclosed
WO-2017120148-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS QUANTUMDX GROUP LIMITED (GB) 2017-07-13 — — 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-11180523-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags POLM, RNGTT, TYMP F10 3862/4885SPHK2 4397/4885KMT2A 1303/4885
US-20190004055-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS POLM, RNGTT, TYMP F10 3862/4885SPHK2 4397/4885KMT2A 1303/4885
US-20190248827-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS POLM, RNGTT, TYMP F10 3862/4885SPHK2 4397/4885KMT2A 1303/4885
US-10273261-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags POLM, RNGTT, TYMP F10 3862/4885SPHK2 4397/4885KMT2A 1303/4885

“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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