SCHEMBL19120252

SCHEMBL19120252

NCc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 5/20 0.54
PKM P14618 1/20 0.52
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
PPARG P37231 1/20 0.48
RAB9A P51151 4/20 0.47
HGFAC Q04756 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL8597144 0.82 HSD17B10 (0.58) ALDH1A1KMT2AMAPTKDM4ERAB9A
SCHEMBL30258384 0.81 RAB9A (0.64) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL4256409 0.81 RAB9A (0.64) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL17747133 0.80 ALDH1A1 (0.45) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL2823735 0.80 ALDH1A1 (0.68) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL28491071 0.80 KMT2A (0.62) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL754748 0.78 KMT2A (0.59) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL28238437 0.78 ALDH1A1 (0.55) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL11873963 0.78 ALDH1A1 (0.55) ALDH1A1KMT2APKMMAPTKDM4E
SCHEMBL4452103 0.77 ALDH1A1 (0.53) ALDH1A1KMT2APKMMAPTKDM4E

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-10759824-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags QUANTUMDX GROUP LIMITED (GB) 2020-09-01 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
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 (5 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 ALDH1A1 3873/4885KMT2A 1303/4885PKM 2042/4885
US-20190004055-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS POLM, RNGTT, TYMP ALDH1A1 3873/4885KMT2A 1303/4885PKM 2042/4885
US-10759824-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags POLM, RNGTT, TYMP ALDH1A1 3873/4885KMT2A 1303/4885PKM 2042/4885
US-20190248827-A1 DESIGN, SYNTHESIS AND USE OF SYNTHETIC NUCLEOTIDES COMPRISING CHARGE MASS TAGS POLM, RNGTT, TYMP ALDH1A1 3873/4885KMT2A 1303/4885PKM 2042/4885
US-10273261-B2 Design, synthesis and use of synthetic nucleotides comprising charge mass tags POLM, RNGTT, TYMP ALDH1A1 3873/4885KMT2A 1303/4885PKM 2042/4885

“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.