SCHEMBL6512773

SCHEMBL6512773

NNc1cc(C(=O)ON2C(=O)CCC2=O)ccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.37
ALDH1A1 P00352 16/20 0.37
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
GLA P06280 2/20 0.35
ATM Q13315 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6512762 0.92 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL7910494 0.89 ALOX15 (0.39) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL12756281 0.82 MAPK1 (0.35) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL20133945 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL7910504 0.77 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
Hydrochloric Acid SCHEMBL7910402 0.77 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL300884 0.77 CA12 (0.42) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL3867866 0.76 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2GAA
SCHEMBL1923453 0.75 CA12 (0.38) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL16938405 0.75 MAPT (0.54) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050003371-A1 Modified nucleotides and methods of labeling nucleic acids STRATAGENE 2005-01-06 US disclosed
WO-2004037989-A2 MODIFIED NUCLEOTIDES AND METHODS OF LABELING NUCLEIC ACIDS STRATAGENE (US) 2004-05-06 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 (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-20050003371-A1 Modified nucleotides and methods of labeling nucleic acids RNGTT, NT5C3B, NT5E KDM4E 3798/4885ALDH1A1 2177/4885HSD17B10 4734/4885

“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.