SCHEMBL21187099

SCHEMBL21187099

Nc1nc2[nH]cc(CNCC(O)O)c2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.46
DHFR P00374 2/20 0.46
FOLR1 P15328 4/20 0.45
SLC19A1 P41440 4/20 0.45
SLC46A1 Q96NT5 4/20 0.45
GART P22102 2/20 0.45
FOLR2 P14207 1/20 0.45
ATIC P31939 1/20 0.45
SHMT1 P34896 1/20 0.45
FRK P42685 1/20 0.45

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
SCHEMBL19929240 0.89 PNP (0.51) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL19929104 0.89 PNP (0.51) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL19929106 0.89 PNP (0.51) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL19929242 0.82 TYMS (0.51) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL19929245 0.80 PNP (0.48) TYMS
SCHEMBL21067593 0.78 TYMS (0.55) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL24231496 0.78 TYMS (0.46) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL25395640 0.78 TYMS (0.46) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL25393619 0.78 TYMS (0.46) TYMSDHFRFOLR1SLC19A1SLC46A1
SCHEMBL17662614 0.78 PNP (0.46) TYMS

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-10857135-B2 Compounds for treating diseases associated with a mitochondrial dysfunction AMABIOTICS (FR) 2020-12-08 US disclosed
US-20190224174-A1 COMPOUNDS FOR TREATING DISEASES ASSOCIATED WITH A MITOCHONDRIAL DYSFUNCTION AMABIOTICS (FR) 2019-07-25 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 (2 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-20190224174-A1 COMPOUNDS FOR TREATING DISEASES ASSOCIATED WITH A MITOCHONDRIAL DYSFUNCTION NDUFAB1, FH, TFAM TYMS 3412/4885DHFR 937/4885FOLR1 3377/4885
US-10857135-B2 Compounds for treating diseases associated with a mitochondrial dysfunction NDUFAB1, FH, TFAM TYMS 3412/4885DHFR 937/4885FOLR1 3377/4885

“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.